REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1zm2_1_E DATA FIRST_RESID 2 DATA SEQUENCE VAFTVDQMRS LMDKVTNVRN MSVIAHVDHG KSTLTDSLVQ RAGIISAXXX DATA SEQUENCE XXXXXXXXXX XXXXXGITIK STAISLYSEM SDEDVKEIKQ KTDGNSFLIN DATA SEQUENCE LIDSPGHVDF SSEVTAALRV TDGALVVVDT IEGVCVQTET VLRQALGERI DATA SEQUENCE KPVVVINKVD RALLELQVSK EDLYQTFART VESVNVIVST YADEVLGDVQ DATA SEQUENCE VYPARGTVAF GSGLHGWAFT IRQFATRYAK KFGVDKAKMM DRLWGDSFFN DATA SEQUENCE PKTKKWTNKD TDAEGKPLER AFNMFILDPI FRLFTAIMNF KKDEIPVLLE DATA SEQUENCE KLEIVLKGDE KDLEGKALLK VVMRKFLPAA DALLEMIVLH LPSPVTAQAY DATA SEQUENCE RAEQLYEGPA DDANCIAIKN CDPKADLMLY VSKMVPTSDK GRFYAFGRVF DATA SEQUENCE AGTVKSGQKV RIQGPNYVPG KKDDLFIKAI QRVVLMMGRF VEPIDDCPAG DATA SEQUENCE NIIGLVGIDQ FLLKTGTLTT SETAHNMKVM KFSVSPVVQV AVEVKNANDL DATA SEQUENCE PKLVEGLKRL SKSDPCVLTY MSESGEHIVA GTGELHLEIC LQDLEHDHAG DATA SEQUENCE VPLKISPPVV AYRETVESES SQTALSKSPN KHNRIYLKAE PIDEEVSLAI DATA SEQUENCE ENGIINPRDD FKARARIMAD DYGWDVTDAR KIWCFGPDGN GPNLVIDQTK DATA SEQUENCE AVQYLHEIKD SVVAAFQWAT KEGPIFGEEM RSVRVNILDV TLHADAIXRG DATA SEQUENCE GGQIIPTMRR ATYAGFLLAD PKIQEPVFLV EIQCPEQAVG GIYSVLNKKR DATA SEQUENCE GQVVSEEQRP GTPLFTVKAY LPVNESFGFT GELRQATGGQ AFPQMVFDHW DATA SEQUENCE STLGSDPLDP TSKAGEIVLA ARKRHGMKEE VPGWQEYYDK L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 175.847 176.094 -0.411 0.000 1.182 2 V CA 0.000 62.123 62.300 -0.295 0.000 1.235 2 V CB 0.000 31.535 31.823 -0.480 0.000 1.184 3 A N 5.161 127.749 122.820 -0.386 0.000 2.354 3 A HA 0.824 5.145 4.320 0.001 0.000 0.281 3 A C -1.067 176.277 177.584 -0.402 0.000 1.174 3 A CA 0.045 51.914 52.037 -0.281 0.000 0.828 3 A CB -0.068 18.837 19.000 -0.158 0.000 1.099 3 A HN 0.779 nan 8.150 nan 0.000 0.516 4 F N 0.762 120.680 119.950 -0.054 0.000 2.538 4 F HA 0.544 5.072 4.527 0.001 0.000 0.325 4 F C 1.129 176.902 175.800 -0.046 0.000 1.066 4 F CA -0.408 57.548 58.000 -0.072 0.000 0.946 4 F CB 2.245 41.191 39.000 -0.091 0.000 1.199 4 F HN 0.641 nan 8.300 nan 0.000 0.473 5 T N -1.357 113.317 114.554 0.201 0.000 2.913 5 T HA 0.321 4.672 4.350 0.001 0.000 0.287 5 T C 1.096 175.833 174.700 0.063 0.000 1.008 5 T CA -0.734 61.419 62.100 0.089 0.000 1.067 5 T CB 1.203 70.104 68.868 0.054 0.000 0.996 5 T HN 0.331 nan 8.240 nan 0.000 0.513 6 V N 1.492 121.428 119.914 0.035 0.000 2.370 6 V HA -0.209 3.911 4.120 0.001 0.000 0.252 6 V C 2.488 178.578 176.094 -0.007 0.000 1.068 6 V CA 2.154 64.464 62.300 0.017 0.000 1.061 6 V CB -0.795 31.035 31.823 0.010 0.000 0.656 6 V HN 0.913 nan 8.190 nan 0.000 0.455 7 D N -0.512 119.882 120.400 -0.009 0.000 2.078 7 D HA -0.179 4.461 4.640 0.001 0.000 0.193 7 D C 2.298 178.561 176.300 -0.062 0.000 0.990 7 D CA 1.520 55.503 54.000 -0.028 0.000 0.827 7 D CB -0.207 40.581 40.800 -0.020 0.000 0.975 7 D HN 0.552 nan 8.370 nan 0.000 0.451 8 Q N -0.090 119.669 119.800 -0.069 0.000 2.047 8 Q HA -0.212 4.128 4.340 0.001 0.000 0.211 8 Q C 2.334 178.168 176.000 -0.276 0.000 1.005 8 Q CA 1.397 57.089 55.803 -0.184 0.000 0.866 8 Q CB -0.175 28.465 28.738 -0.164 0.000 0.938 8 Q HN 0.277 nan 8.270 nan 0.000 0.414 9 M N 0.233 119.703 119.600 -0.217 0.000 2.115 9 M HA -0.206 4.274 4.480 0.001 0.000 0.258 9 M C 2.269 178.498 176.300 -0.118 0.000 1.071 9 M CA 1.784 56.979 55.300 -0.174 0.000 1.100 9 M CB -1.021 31.548 32.600 -0.051 0.000 1.292 9 M HN 0.143 nan 8.290 nan 0.000 0.415 10 R N 0.429 120.883 120.500 -0.075 0.000 2.134 10 R HA -0.164 4.177 4.340 0.001 0.000 0.248 10 R C 2.259 178.517 176.300 -0.070 0.000 1.143 10 R CA 2.765 58.830 56.100 -0.058 0.000 0.957 10 R CB -1.390 28.885 30.300 -0.042 0.000 0.867 10 R HN 0.366 nan 8.270 nan 0.000 0.441 11 S N -0.869 114.778 115.700 -0.088 0.000 2.402 11 S HA -0.043 4.428 4.470 0.001 0.000 0.229 11 S C 1.724 176.264 174.600 -0.100 0.000 1.021 11 S CA 0.952 59.100 58.200 -0.087 0.000 0.974 11 S CB -0.394 62.751 63.200 -0.092 0.000 0.800 11 S HN 0.379 nan 8.310 nan 0.000 0.484 12 L N 1.758 122.900 121.223 -0.135 0.000 2.056 12 L HA 0.150 4.491 4.340 0.001 0.000 0.207 12 L C 2.179 179.002 176.870 -0.078 0.000 1.078 12 L CA 1.939 56.702 54.840 -0.130 0.000 0.749 12 L CB -0.732 41.215 42.059 -0.187 0.000 0.901 12 L HN 0.376 nan 8.230 nan 0.000 0.433 13 M N -1.025 118.535 119.600 -0.067 0.000 2.549 13 M HA -0.151 4.329 4.480 0.001 0.000 0.260 13 M C 1.398 177.672 176.300 -0.044 0.000 1.076 13 M CA 0.998 56.271 55.300 -0.045 0.000 1.090 13 M CB -0.447 32.128 32.600 -0.041 0.000 1.418 13 M HN 0.283 nan 8.290 nan 0.000 0.486 14 D N 0.690 121.060 120.400 -0.049 0.000 2.194 14 D HA -0.026 4.614 4.640 0.001 0.000 0.204 14 D C 0.434 176.711 176.300 -0.039 0.000 0.964 14 D CA 0.965 54.940 54.000 -0.043 0.000 0.846 14 D CB 0.165 40.939 40.800 -0.044 0.000 0.962 14 D HN 0.185 nan 8.370 nan 0.000 0.490 15 K N 1.100 121.472 120.400 -0.047 0.000 2.155 15 K HA 0.099 4.420 4.320 0.001 0.000 0.240 15 K C 1.060 177.648 176.600 -0.020 0.000 1.193 15 K CA -0.171 56.090 56.287 -0.044 0.000 1.104 15 K CB 0.578 33.033 32.500 -0.076 0.000 1.558 15 K HN -0.156 nan 8.250 nan 0.000 0.313 16 V N 0.410 120.317 119.914 -0.012 0.000 2.407 16 V HA -0.263 3.857 4.120 0.001 0.000 0.248 16 V C 2.156 178.266 176.094 0.028 0.000 1.055 16 V CA 2.289 64.588 62.300 -0.001 0.000 1.049 16 V CB -0.783 31.031 31.823 -0.015 0.000 0.662 16 V HN 0.794 nan 8.190 nan 0.000 0.455 17 T N -2.069 112.506 114.554 0.034 0.000 3.098 17 T HA -0.107 4.243 4.350 0.001 0.000 0.266 17 T C 1.019 175.809 174.700 0.150 0.000 1.145 17 T CA 1.453 63.593 62.100 0.067 0.000 1.092 17 T CB -0.492 68.408 68.868 0.053 0.000 0.908 17 T HN 0.460 nan 8.240 nan 0.000 0.526 18 N N 0.451 119.238 118.700 0.146 0.000 2.389 18 N HA 0.389 5.130 4.740 0.001 0.000 0.260 18 N C -1.264 174.438 175.510 0.320 0.000 1.191 18 N CA -0.193 53.038 53.050 0.302 0.000 0.885 18 N CB 1.176 39.580 38.487 -0.139 0.000 1.162 18 N HN 0.254 nan 8.380 nan 0.000 0.512 19 V N 0.574 120.600 119.914 0.187 0.000 2.680 19 V HA 0.546 4.667 4.120 0.001 0.000 0.309 19 V C -0.315 175.823 176.094 0.073 0.000 1.052 19 V CA -0.876 61.494 62.300 0.117 0.000 0.908 19 V CB 2.316 34.167 31.823 0.048 0.000 1.001 19 V HN 0.051 nan 8.190 nan 0.000 0.431 20 R N 3.081 123.613 120.500 0.054 0.000 2.412 20 R HA 0.434 4.774 4.340 0.001 0.000 0.304 20 R C -1.103 175.209 176.300 0.020 0.000 1.066 20 R CA -0.535 55.574 56.100 0.015 0.000 0.923 20 R CB 1.220 31.510 30.300 -0.016 0.000 1.156 20 R HN 0.632 nan 8.270 nan 0.000 0.513 21 N N 4.354 123.062 118.700 0.012 0.000 2.422 21 N HA 0.457 5.197 4.740 0.001 0.000 0.266 21 N C 0.080 175.605 175.510 0.024 0.000 1.007 21 N CA -0.359 52.703 53.050 0.021 0.000 0.941 21 N CB 1.554 40.041 38.487 0.000 0.000 1.115 21 N HN 0.383 nan 8.380 nan 0.000 0.492 22 M N -0.867 118.754 119.600 0.034 0.000 3.008 22 M HA 0.598 5.079 4.480 0.001 0.000 0.271 22 M C -0.587 175.732 176.300 0.032 0.000 1.265 22 M CA -1.002 54.314 55.300 0.026 0.000 0.817 22 M CB 1.142 33.746 32.600 0.007 0.000 1.638 22 M HN 0.153 nan 8.290 nan 0.000 0.479 23 S N -0.637 115.075 115.700 0.019 0.000 2.697 23 S HA 0.957 5.427 4.470 0.001 0.000 0.289 23 S C -1.772 172.826 174.600 -0.003 0.000 1.149 23 S CA -0.645 57.563 58.200 0.014 0.000 0.850 23 S CB 1.944 65.159 63.200 0.025 0.000 1.151 23 S HN 0.871 nan 8.310 nan 0.000 0.491 24 V N 3.560 123.469 119.914 -0.008 0.000 2.334 24 V HA 0.471 4.592 4.120 0.001 0.000 0.281 24 V C -0.614 175.472 176.094 -0.013 0.000 1.016 24 V CA -0.719 61.571 62.300 -0.016 0.000 0.832 24 V CB 1.192 33.003 31.823 -0.019 0.000 0.999 24 V HN 0.688 nan 8.190 nan 0.000 0.439 25 I N 4.803 125.363 120.570 -0.017 0.000 2.281 25 I HA 0.708 4.879 4.170 0.001 0.000 0.293 25 I C 0.446 176.563 176.117 -0.001 0.000 1.085 25 I CA 0.225 61.518 61.300 -0.012 0.000 1.257 25 I CB 0.371 38.359 38.000 -0.019 0.000 1.430 25 I HN 0.760 nan 8.210 nan 0.000 0.489 26 A N 4.974 127.800 122.820 0.008 0.000 2.565 26 A HA 0.336 4.657 4.320 0.001 0.000 0.298 26 A C -0.752 176.855 177.584 0.039 0.000 1.062 26 A CA -0.739 51.323 52.037 0.043 0.000 0.723 26 A CB 0.601 19.630 19.000 0.049 0.000 1.282 26 A HN 0.772 nan 8.150 nan 0.000 0.400 27 H N 1.277 120.287 119.070 -0.100 0.000 2.972 27 H HA 0.234 4.790 4.556 0.001 0.000 0.343 27 H C 1.640 176.878 175.328 -0.150 0.000 1.054 27 H CA 0.683 56.599 56.048 -0.219 0.000 1.412 27 H CB 1.110 30.545 29.762 -0.546 0.000 1.385 27 H HN 0.885 nan 8.280 nan 0.000 0.600 28 V N 0.931 120.911 119.914 0.110 0.000 2.469 28 V HA -0.197 3.923 4.120 0.001 0.000 0.251 28 V C 1.014 177.214 176.094 0.176 0.000 1.064 28 V CA 1.967 64.340 62.300 0.122 0.000 1.066 28 V CB -0.137 31.706 31.823 0.035 0.000 0.667 28 V HN 0.775 nan 8.190 nan 0.000 0.461 29 D N -0.556 120.002 120.400 0.263 0.000 2.370 29 D HA 0.127 4.768 4.640 0.001 0.000 0.230 29 D C 0.715 177.073 176.300 0.097 0.000 1.143 29 D CA 0.365 54.392 54.000 0.046 0.000 0.834 29 D CB -0.359 40.392 40.800 -0.081 0.000 0.944 29 D HN 0.718 nan 8.370 nan 0.000 0.504 30 H N -0.887 118.172 119.070 -0.018 0.000 2.510 30 H HA 0.270 4.826 4.556 0.001 0.000 0.266 30 H C 0.869 176.180 175.328 -0.029 0.000 1.146 30 H CA -0.408 55.615 56.048 -0.042 0.000 0.993 30 H CB 0.898 30.642 29.762 -0.030 0.000 1.727 30 H HN 0.115 nan 8.280 nan 0.000 0.590 31 G N 2.386 111.242 108.800 0.093 0.000 2.272 31 G HA2 -0.361 3.600 3.960 0.001 0.000 0.280 31 G HA3 -0.361 3.600 3.960 0.001 0.000 0.280 31 G C 1.035 175.953 174.900 0.029 0.000 1.067 31 G CA 0.875 45.997 45.100 0.037 0.000 0.902 31 G HN 0.503 nan 8.290 nan 0.000 0.500 32 K N 0.237 120.666 120.400 0.047 0.000 2.025 32 K HA -0.082 4.238 4.320 0.001 0.000 0.207 32 K C 2.879 179.483 176.600 0.007 0.000 1.049 32 K CA 2.025 58.327 56.287 0.026 0.000 0.933 32 K CB -0.252 32.265 32.500 0.029 0.000 0.714 32 K HN 0.669 nan 8.250 nan 0.000 0.438 33 S N -0.234 115.472 115.700 0.010 0.000 2.357 33 S HA -0.097 4.373 4.470 0.001 0.000 0.221 33 S C 2.031 176.633 174.600 0.002 0.000 1.031 33 S CA 1.522 59.722 58.200 0.001 0.000 0.982 33 S CB -0.759 62.443 63.200 0.004 0.000 0.853 33 S HN 0.306 nan 8.310 nan 0.000 0.458 34 T N 3.410 117.968 114.554 0.008 0.000 2.665 34 T HA 0.005 4.356 4.350 0.001 0.000 0.268 34 T C 1.749 176.448 174.700 -0.002 0.000 1.035 34 T CA 1.698 63.803 62.100 0.008 0.000 1.151 34 T CB -0.674 68.202 68.868 0.013 0.000 0.862 34 T HN 0.293 nan 8.240 nan 0.000 0.438 35 L N 1.109 122.323 121.223 -0.014 0.000 2.083 35 L HA -0.126 4.215 4.340 0.001 0.000 0.209 35 L C 3.034 179.892 176.870 -0.020 0.000 1.083 35 L CA 1.602 56.425 54.840 -0.028 0.000 0.752 35 L CB -1.168 40.863 42.059 -0.047 0.000 0.899 35 L HN 0.487 nan 8.230 nan 0.000 0.433 36 T N -3.691 110.855 114.554 -0.014 0.000 2.777 36 T HA -0.158 4.192 4.350 0.001 0.000 0.266 36 T C 1.474 176.172 174.700 -0.004 0.000 1.040 36 T CA 1.156 63.249 62.100 -0.012 0.000 1.141 36 T CB -0.383 68.476 68.868 -0.015 0.000 0.868 36 T HN 0.242 nan 8.240 nan 0.000 0.444 37 D N 1.398 121.797 120.400 -0.001 0.000 2.144 37 D HA -0.081 4.559 4.640 0.001 0.000 0.199 37 D C 2.330 178.638 176.300 0.013 0.000 0.984 37 D CA 1.363 55.367 54.000 0.005 0.000 0.834 37 D CB -0.489 40.315 40.800 0.007 0.000 0.955 37 D HN 0.474 nan 8.370 nan 0.000 0.465 38 S N 0.073 115.780 115.700 0.013 0.000 2.423 38 S HA -0.075 4.395 4.470 0.001 0.000 0.231 38 S C 1.788 176.399 174.600 0.019 0.000 1.014 38 S CA 0.318 58.530 58.200 0.020 0.000 0.965 38 S CB -0.061 63.149 63.200 0.017 0.000 0.785 38 S HN 0.262 nan 8.310 nan 0.000 0.495 39 L N 0.608 121.838 121.223 0.012 0.000 2.529 39 L HA 0.235 4.576 4.340 0.001 0.000 0.223 39 L C 1.657 178.544 176.870 0.027 0.000 1.113 39 L CA 0.373 55.222 54.840 0.015 0.000 0.861 39 L CB 0.091 42.151 42.059 0.002 0.000 1.012 39 L HN 0.192 nan 8.230 nan 0.000 0.461 40 V N -0.418 119.511 119.914 0.025 0.000 2.500 40 V HA -0.121 3.999 4.120 0.001 0.000 0.243 40 V C 1.886 178.003 176.094 0.038 0.000 1.039 40 V CA 1.138 63.458 62.300 0.033 0.000 1.053 40 V CB -0.284 31.551 31.823 0.020 0.000 0.695 40 V HN 0.454 nan 8.190 nan 0.000 0.463 41 Q N -0.215 119.604 119.800 0.033 0.000 2.491 41 Q HA -0.059 4.282 4.340 0.001 0.000 0.214 41 Q C 1.900 177.923 176.000 0.038 0.000 0.970 41 Q CA 0.492 56.316 55.803 0.034 0.000 0.960 41 Q CB 0.109 28.866 28.738 0.032 0.000 0.996 41 Q HN 0.418 nan 8.270 nan 0.000 0.524 42 R N -0.135 120.391 120.500 0.043 0.000 2.342 42 R HA 0.215 4.556 4.340 0.001 0.000 0.179 42 R C 0.611 176.950 176.300 0.064 0.000 0.989 42 R CA 1.149 57.277 56.100 0.047 0.000 1.125 42 R CB -0.215 30.108 30.300 0.039 0.000 1.211 42 R HN -0.012 nan 8.270 nan 0.000 0.568 43 A N 0.409 123.274 122.820 0.074 0.000 2.594 43 A HA 0.507 4.828 4.320 0.001 0.000 0.287 43 A C 0.449 178.116 177.584 0.139 0.000 1.227 43 A CA -0.075 52.032 52.037 0.117 0.000 0.952 43 A CB -0.072 18.986 19.000 0.097 0.000 1.161 43 A HN 0.355 nan 8.150 nan 0.000 0.524 44 G N 0.495 109.355 108.800 0.101 0.000 2.398 44 G HA2 0.441 4.402 3.960 0.001 0.000 0.246 44 G HA3 0.441 4.402 3.960 0.001 0.000 0.246 44 G C -0.171 174.798 174.900 0.115 0.000 1.289 44 G CA 0.028 45.188 45.100 0.100 0.000 0.869 44 G HN 0.159 nan 8.290 nan 0.000 0.543 45 I N 2.678 123.335 120.570 0.146 0.000 2.336 45 I HA 0.354 4.525 4.170 0.001 0.000 0.292 45 I C -0.019 176.179 176.117 0.134 0.000 0.991 45 I CA -0.823 60.575 61.300 0.163 0.000 1.227 45 I CB 1.121 39.289 38.000 0.280 0.000 1.366 45 I HN 0.201 nan 8.210 nan 0.000 0.466 46 I N 4.357 124.973 120.570 0.077 0.000 2.750 46 I HA 0.400 4.571 4.170 0.001 0.000 0.308 46 I C 0.600 176.755 176.117 0.064 0.000 1.016 46 I CA -0.465 60.885 61.300 0.084 0.000 1.098 46 I CB 1.550 39.570 38.000 0.034 0.000 1.279 46 I HN 0.573 nan 8.210 nan 0.000 0.454 47 S N 2.103 117.838 115.700 0.060 0.000 2.585 47 S HA 0.860 5.331 4.470 0.001 0.000 0.277 47 S C -0.062 174.533 174.600 -0.008 0.000 1.241 47 S CA -0.738 57.490 58.200 0.046 0.000 1.041 47 S CB 1.372 64.601 63.200 0.048 0.000 0.987 47 S HN 0.853 nan 8.310 nan 0.000 0.512 68 I N 3.356 123.973 120.570 0.078 0.000 2.307 68 I HA 0.372 4.542 4.170 0.001 0.000 0.289 68 I C 0.457 176.635 176.117 0.101 0.000 1.021 68 I CA -0.514 60.835 61.300 0.082 0.000 1.224 68 I CB 0.321 38.410 38.000 0.148 0.000 1.376 68 I HN 0.168 nan 8.210 nan 0.000 0.470 69 T N 5.772 120.351 114.554 0.041 0.000 2.794 69 T HA 0.807 5.158 4.350 0.001 0.000 0.280 69 T C -0.095 174.551 174.700 -0.090 0.000 0.987 69 T CA -0.650 61.471 62.100 0.033 0.000 0.993 69 T CB 1.697 70.587 68.868 0.036 0.000 0.939 69 T HN 0.478 nan 8.240 nan 0.000 0.449 70 I N -0.379 120.126 120.570 -0.108 0.000 3.100 70 I HA 0.627 4.798 4.170 0.001 0.000 0.312 70 I C -0.111 175.900 176.117 -0.177 0.000 1.063 70 I CA -1.555 59.639 61.300 -0.177 0.000 1.031 70 I CB 1.755 39.679 38.000 -0.125 0.000 1.243 70 I HN 0.512 nan 8.210 nan 0.000 0.483 71 K N 2.666 122.956 120.400 -0.183 0.000 2.316 71 K HA 0.117 4.438 4.320 0.001 0.000 0.289 71 K C -0.076 176.425 176.600 -0.164 0.000 1.070 71 K CA 0.045 56.234 56.287 -0.164 0.000 0.928 71 K CB 0.845 33.257 32.500 -0.146 0.000 1.039 71 K HN 0.786 nan 8.250 nan 0.000 0.480 72 S N 3.575 119.171 115.700 -0.174 0.000 2.737 72 S HA -0.044 4.427 4.470 0.001 0.000 0.315 72 S C 0.546 175.031 174.600 -0.191 0.000 1.236 72 S CA 0.353 58.446 58.200 -0.180 0.000 1.093 72 S CB 0.176 63.273 63.200 -0.172 0.000 0.832 72 S HN 0.711 nan 8.310 nan 0.000 0.507 73 T N 4.208 118.618 114.554 -0.240 0.000 3.058 73 T HA 0.519 4.869 4.350 0.001 0.000 0.247 73 T C 0.263 174.750 174.700 -0.355 0.000 0.987 73 T CA 0.497 62.380 62.100 -0.361 0.000 1.062 73 T CB 0.383 68.880 68.868 -0.617 0.000 1.048 73 T HN 0.811 nan 8.240 nan 0.000 0.468 74 A N 0.940 123.601 122.820 -0.265 0.000 2.539 74 A HA 0.765 5.085 4.320 0.001 0.000 0.296 74 A C -1.742 175.826 177.584 -0.026 0.000 1.073 74 A CA -0.624 51.349 52.037 -0.106 0.000 0.700 74 A CB 1.311 20.322 19.000 0.018 0.000 1.296 74 A HN 0.187 nan 8.150 nan 0.000 0.405 75 I N 1.097 121.676 120.570 0.014 0.000 2.545 75 I HA 0.378 4.549 4.170 0.001 0.000 0.292 75 I C -0.074 176.086 176.117 0.071 0.000 1.040 75 I CA -0.327 60.992 61.300 0.031 0.000 1.068 75 I CB 1.863 39.871 38.000 0.013 0.000 1.251 75 I HN 0.558 nan 8.210 nan 0.000 0.424 76 S N 6.240 121.997 115.700 0.095 0.000 2.452 76 S HA 0.612 5.083 4.470 0.001 0.000 0.284 76 S C -0.376 174.311 174.600 0.145 0.000 1.171 76 S CA -0.511 57.764 58.200 0.124 0.000 1.064 76 S CB 0.698 63.983 63.200 0.142 0.000 0.967 76 S HN 0.213 nan 8.310 nan 0.000 0.484 77 L N 3.681 124.993 121.223 0.149 0.000 2.346 77 L HA 0.503 4.844 4.340 0.001 0.000 0.276 77 L C -0.562 176.450 176.870 0.237 0.000 1.006 77 L CA -0.883 54.057 54.840 0.167 0.000 0.817 77 L CB 0.581 42.700 42.059 0.101 0.000 1.272 77 L HN 0.667 nan 8.230 nan 0.000 0.421 78 Y N 1.738 122.132 120.300 0.156 0.000 2.360 78 Y HA 0.719 5.269 4.550 0.001 0.000 0.337 78 Y C -0.146 175.849 175.900 0.158 0.000 1.039 78 Y CA -0.304 57.910 58.100 0.192 0.000 1.109 78 Y CB 1.880 40.547 38.460 0.344 0.000 1.201 78 Y HN 0.634 nan 8.280 nan 0.000 0.458 79 S N 4.756 120.062 115.700 -0.657 0.000 2.543 79 S HA 0.383 4.854 4.470 0.001 0.000 0.271 79 S C -1.775 172.538 174.600 -0.480 0.000 1.148 79 S CA -0.749 57.192 58.200 -0.432 0.000 0.914 79 S CB 1.170 64.302 63.200 -0.114 0.000 1.096 79 S HN 0.845 nan 8.310 nan 0.000 0.471 80 E N 3.762 123.786 120.200 -0.292 0.000 2.277 80 E HA 0.644 4.994 4.350 0.001 0.000 0.266 80 E C -0.868 175.756 176.600 0.039 0.000 0.901 80 E CA -0.740 55.592 56.400 -0.114 0.000 0.782 80 E CB 1.096 30.760 29.700 -0.061 0.000 1.228 80 E HN 0.605 nan 8.360 nan 0.000 0.424 81 M N 0.653 120.315 119.600 0.103 0.000 2.812 81 M HA 0.376 4.856 4.480 0.001 0.000 0.285 81 M C -0.240 176.101 176.300 0.067 0.000 1.216 81 M CA -0.865 54.498 55.300 0.106 0.000 0.749 81 M CB 1.072 33.791 32.600 0.199 0.000 1.756 81 M HN 0.593 nan 8.290 nan 0.000 0.439 82 S N -1.186 114.547 115.700 0.055 0.000 2.621 82 S HA 0.414 4.884 4.470 0.001 0.000 0.302 82 S C -0.177 174.446 174.600 0.038 0.000 1.093 82 S CA -0.630 57.592 58.200 0.036 0.000 1.017 82 S CB 1.219 64.433 63.200 0.025 0.000 1.077 82 S HN 0.592 nan 8.310 nan 0.000 0.517 83 D N 0.741 121.156 120.400 0.025 0.000 2.357 83 D HA -0.073 4.568 4.640 0.001 0.000 0.216 83 D C 1.314 177.628 176.300 0.024 0.000 0.973 83 D CA 1.086 55.100 54.000 0.022 0.000 0.912 83 D CB 0.087 40.894 40.800 0.013 0.000 0.900 83 D HN 0.529 nan 8.370 nan 0.000 0.501 84 E N 0.184 120.398 120.200 0.022 0.000 2.166 84 E HA -0.035 4.315 4.350 0.001 0.000 0.192 84 E C 1.288 177.899 176.600 0.018 0.000 0.967 84 E CA 0.503 56.913 56.400 0.018 0.000 0.840 84 E CB -0.053 29.656 29.700 0.015 0.000 0.795 84 E HN 0.325 nan 8.360 nan 0.000 0.470 85 D N 0.740 121.153 120.400 0.022 0.000 2.183 85 D HA -0.059 4.581 4.640 0.001 0.000 0.203 85 D C 1.892 178.207 176.300 0.026 0.000 0.969 85 D CA 0.501 54.509 54.000 0.013 0.000 0.842 85 D CB 0.255 41.064 40.800 0.015 0.000 0.957 85 D HN -0.020 nan 8.370 nan 0.000 0.484 86 V N 0.997 120.949 119.914 0.064 0.000 3.141 86 V HA -0.097 4.023 4.120 0.001 0.000 0.265 86 V C 2.190 178.317 176.094 0.055 0.000 1.126 86 V CA 1.009 63.368 62.300 0.099 0.000 1.141 86 V CB -0.188 31.701 31.823 0.111 0.000 0.743 86 V HN 0.021 nan 8.190 nan 0.000 0.492 87 K N 0.146 120.565 120.400 0.031 0.000 2.262 87 K HA 0.047 4.368 4.320 0.001 0.000 0.200 87 K C 1.959 178.565 176.600 0.010 0.000 1.049 87 K CA 0.576 56.876 56.287 0.021 0.000 0.979 87 K CB 0.099 32.609 32.500 0.017 0.000 0.773 87 K HN 0.558 nan 8.250 nan 0.000 0.474 88 E N 0.466 120.666 120.200 -0.000 0.000 2.208 88 E HA -0.025 4.325 4.350 0.001 0.000 0.193 88 E C 0.227 176.810 176.600 -0.028 0.000 0.988 88 E CA 0.288 56.680 56.400 -0.013 0.000 0.828 88 E CB 0.030 29.715 29.700 -0.025 0.000 0.763 88 E HN 0.224 nan 8.360 nan 0.000 0.478 89 I N 3.243 123.788 120.570 -0.041 0.000 2.494 89 I HA -0.040 4.131 4.170 0.001 0.000 0.289 89 I C 1.304 177.413 176.117 -0.013 0.000 1.106 89 I CA 0.066 61.332 61.300 -0.057 0.000 1.369 89 I CB 0.557 38.510 38.000 -0.079 0.000 1.410 89 I HN 0.022 nan 8.210 nan 0.000 0.523 90 K N 5.122 125.521 120.400 -0.002 0.000 2.633 90 K HA -0.111 4.210 4.320 0.001 0.000 0.193 90 K C 0.519 177.129 176.600 0.018 0.000 1.033 90 K CA 0.515 56.810 56.287 0.014 0.000 0.980 90 K CB -0.009 32.505 32.500 0.023 0.000 0.800 90 K HN 0.690 nan 8.250 nan 0.000 0.493 91 Q N 2.070 121.878 119.800 0.014 0.000 2.274 91 Q HA 0.146 4.487 4.340 0.001 0.000 0.260 91 Q C -1.137 174.882 176.000 0.032 0.000 0.974 91 Q CA -0.915 54.902 55.803 0.024 0.000 0.876 91 Q CB 1.525 30.274 28.738 0.018 0.000 1.297 91 Q HN 0.114 nan 8.270 nan 0.000 0.446 92 K N 2.819 123.240 120.400 0.037 0.000 2.395 92 K HA 0.053 4.373 4.320 0.001 0.000 0.283 92 K C -0.839 175.793 176.600 0.055 0.000 1.068 92 K CA 0.573 56.883 56.287 0.039 0.000 1.039 92 K CB 0.113 32.632 32.500 0.031 0.000 0.924 92 K HN 0.733 nan 8.250 nan 0.000 0.468 93 T N 0.772 115.365 114.554 0.065 0.000 2.807 93 T HA 0.415 4.766 4.350 0.001 0.000 0.277 93 T C -1.026 173.703 174.700 0.048 0.000 1.006 93 T CA -0.981 61.177 62.100 0.096 0.000 1.006 93 T CB 1.626 70.609 68.868 0.190 0.000 1.274 93 T HN 0.560 nan 8.240 nan 0.000 0.569 94 D N -1.305 119.106 120.400 0.018 0.000 2.333 94 D HA 0.504 5.145 4.640 0.001 0.000 0.225 94 D C -0.002 176.233 176.300 -0.108 0.000 1.345 94 D CA 0.861 54.842 54.000 -0.032 0.000 0.971 94 D CB 0.441 41.224 40.800 -0.028 0.000 1.451 94 D HN 1.218 nan 8.370 nan 0.000 0.561 95 G N 2.585 111.317 108.800 -0.114 0.000 2.422 95 G HA2 -0.099 3.862 3.960 0.001 0.000 0.607 95 G HA3 -0.099 3.862 3.960 0.001 0.000 0.607 95 G C -0.131 174.616 174.900 -0.254 0.000 1.270 95 G CA -0.233 44.759 45.100 -0.181 0.000 0.992 95 G HN 0.429 nan 8.290 nan 0.000 0.499 96 N N -0.665 117.860 118.700 -0.293 0.000 2.239 96 N HA 0.166 4.906 4.740 0.001 0.000 0.208 96 N C 0.477 175.728 175.510 -0.432 0.000 1.200 96 N CA 0.567 53.462 53.050 -0.258 0.000 0.895 96 N CB 0.921 39.364 38.487 -0.073 0.000 1.085 96 N HN 0.500 nan 8.380 nan 0.000 0.500 97 S N 0.884 116.308 115.700 -0.460 0.000 2.562 97 S HA 0.509 4.980 4.470 0.001 0.000 0.275 97 S C -0.680 173.498 174.600 -0.704 0.000 1.281 97 S CA -0.125 57.867 58.200 -0.347 0.000 1.045 97 S CB 0.575 63.816 63.200 0.070 0.000 0.962 97 S HN 0.044 nan 8.310 nan 0.000 0.503 98 F N 1.600 121.439 119.950 -0.185 0.000 2.557 98 F HA 0.424 4.952 4.527 0.001 0.000 0.316 98 F C -0.520 175.246 175.800 -0.057 0.000 1.141 98 F CA -0.941 56.993 58.000 -0.111 0.000 0.922 98 F CB 1.329 40.250 39.000 -0.131 0.000 1.194 98 F HN 0.321 nan 8.300 nan 0.000 0.443 99 L N 5.436 126.773 121.223 0.189 0.000 2.260 99 L HA 0.575 4.916 4.340 0.001 0.000 0.289 99 L C -0.762 176.181 176.870 0.123 0.000 1.057 99 L CA -0.133 54.798 54.840 0.150 0.000 0.811 99 L CB 0.234 42.349 42.059 0.094 0.000 1.184 99 L HN 0.458 nan 8.230 nan 0.000 0.429 100 I N 5.028 125.666 120.570 0.112 0.000 2.354 100 I HA 0.283 4.453 4.170 0.001 0.000 0.286 100 I C -0.447 175.717 176.117 0.077 0.000 1.007 100 I CA -0.544 60.801 61.300 0.075 0.000 1.167 100 I CB 0.908 38.940 38.000 0.053 0.000 1.320 100 I HN 0.583 nan 8.210 nan 0.000 0.458 101 N N 6.350 125.091 118.700 0.069 0.000 2.415 101 N HA 0.249 4.989 4.740 0.001 0.000 0.246 101 N C -0.657 174.897 175.510 0.073 0.000 1.078 101 N CA -0.416 52.684 53.050 0.083 0.000 0.942 101 N CB 0.921 39.462 38.487 0.089 0.000 1.140 101 N HN 0.395 nan 8.380 nan 0.000 0.501 102 L N 4.567 125.828 121.223 0.064 0.000 2.328 102 L HA 0.421 4.762 4.340 0.001 0.000 0.280 102 L C -1.108 175.781 176.870 0.032 0.000 1.111 102 L CA -0.586 54.277 54.840 0.039 0.000 0.909 102 L CB -0.245 41.827 42.059 0.022 0.000 1.277 102 L HN 0.396 nan 8.230 nan 0.000 0.433 103 I N 4.103 124.703 120.570 0.050 0.000 2.363 103 I HA 0.133 4.304 4.170 0.001 0.000 0.292 103 I C 0.600 176.708 176.117 -0.016 0.000 1.075 103 I CA -0.098 61.223 61.300 0.036 0.000 1.333 103 I CB 0.243 38.324 38.000 0.135 0.000 1.415 103 I HN 0.546 nan 8.210 nan 0.000 0.502 104 D N 3.998 124.352 120.400 -0.077 0.000 2.474 104 D HA 0.046 4.687 4.640 0.001 0.000 0.232 104 D C -0.101 176.163 176.300 -0.060 0.000 1.177 104 D CA 0.813 54.763 54.000 -0.083 0.000 0.876 104 D CB 0.625 41.346 40.800 -0.131 0.000 1.208 104 D HN 0.474 nan 8.370 nan 0.000 0.464 105 S N 1.248 116.914 115.700 -0.058 0.000 2.569 105 S HA 0.652 5.122 4.470 0.001 0.000 0.280 105 S C -2.559 171.992 174.600 -0.082 0.000 1.111 105 S CA -1.356 56.817 58.200 -0.045 0.000 0.887 105 S CB 1.220 64.409 63.200 -0.018 0.000 1.095 105 S HN 0.268 nan 8.310 nan 0.000 0.476 106 P HA 0.285 nan 4.420 nan 0.000 0.280 106 P C 0.644 177.888 177.300 -0.094 0.000 1.278 106 P CA -0.113 62.865 63.100 -0.202 0.000 0.787 106 P CB 0.225 31.796 31.700 -0.215 0.000 1.163 107 G N -2.014 106.752 108.800 -0.057 0.000 2.763 107 G HA2 0.012 3.973 3.960 0.001 0.000 0.205 107 G HA3 0.012 3.973 3.960 0.001 0.000 0.205 107 G C -0.211 174.740 174.900 0.086 0.000 1.137 107 G CA 0.469 45.593 45.100 0.040 0.000 0.839 107 G HN 0.465 nan 8.290 nan 0.000 0.596 108 H N -0.516 118.687 119.070 0.221 0.000 2.487 108 H HA 0.428 4.985 4.556 0.001 0.000 0.333 108 H C 1.000 176.492 175.328 0.274 0.000 1.114 108 H CA -0.469 55.708 56.048 0.215 0.000 1.310 108 H CB 2.290 32.195 29.762 0.240 0.000 1.462 108 H HN -0.099 nan 8.280 nan 0.000 0.516 109 V N 1.862 121.872 119.914 0.161 0.000 3.573 109 V HA -0.113 4.007 4.120 0.001 0.000 0.270 109 V C 0.876 177.031 176.094 0.102 0.000 1.221 109 V CA 0.935 63.311 62.300 0.127 0.000 1.163 109 V CB -0.315 31.530 31.823 0.037 0.000 0.847 109 V HN 0.779 nan 8.190 nan 0.000 0.468 110 D N 0.438 120.859 120.400 0.035 0.000 2.350 110 D HA -0.100 4.541 4.640 0.001 0.000 0.216 110 D C 1.375 177.523 176.300 -0.254 0.000 0.968 110 D CA 0.999 54.907 54.000 -0.153 0.000 0.894 110 D CB -0.090 40.549 40.800 -0.269 0.000 0.909 110 D HN 0.489 nan 8.370 nan 0.000 0.520 111 F N 1.219 121.206 119.950 0.062 0.000 2.769 111 F HA 0.027 4.554 4.527 0.001 0.000 0.304 111 F C 1.958 177.806 175.800 0.081 0.000 1.158 111 F CA -0.244 57.801 58.000 0.075 0.000 1.398 111 F CB -0.325 38.725 39.000 0.083 0.000 1.094 111 F HN -0.212 nan 8.300 nan 0.000 0.553 112 S N 0.613 116.402 115.700 0.148 0.000 2.337 112 S HA -0.442 4.028 4.470 0.001 0.000 0.399 112 S C 2.317 177.007 174.600 0.150 0.000 1.134 112 S CA 2.591 60.863 58.200 0.119 0.000 2.090 112 S CB -1.373 61.828 63.200 0.002 0.000 1.665 112 S HN 0.648 nan 8.310 nan 0.000 0.502 113 S N 3.016 118.780 115.700 0.107 0.000 2.414 113 S HA -0.341 4.129 4.470 0.001 0.000 0.238 113 S C 1.832 176.580 174.600 0.247 0.000 1.055 113 S CA 2.033 60.285 58.200 0.086 0.000 1.174 113 S CB -1.187 62.046 63.200 0.055 0.000 1.087 113 S HN 0.883 nan 8.310 nan 0.000 0.428 114 E N 1.325 121.765 120.200 0.400 0.000 2.333 114 E HA -0.074 4.277 4.350 0.001 0.000 0.198 114 E C 1.821 178.567 176.600 0.243 0.000 1.007 114 E CA 1.101 57.724 56.400 0.373 0.000 0.845 114 E CB -0.515 29.358 29.700 0.289 0.000 0.766 114 E HN 0.502 nan 8.360 nan 0.000 0.507 115 V N 1.485 121.532 119.914 0.221 0.000 2.323 115 V HA -0.208 3.913 4.120 0.001 0.000 0.244 115 V C 2.280 178.461 176.094 0.145 0.000 1.041 115 V CA 2.159 64.557 62.300 0.165 0.000 1.025 115 V CB -0.684 31.239 31.823 0.167 0.000 0.656 115 V HN 0.397 nan 8.190 nan 0.000 0.451 116 T N 0.342 114.992 114.554 0.159 0.000 2.962 116 T HA -0.033 4.318 4.350 0.001 0.000 0.270 116 T C 1.964 176.753 174.700 0.149 0.000 1.088 116 T CA 1.172 63.351 62.100 0.132 0.000 1.127 116 T CB -0.280 68.674 68.868 0.144 0.000 0.883 116 T HN 0.541 nan 8.240 nan 0.000 0.493 117 A N 1.980 124.925 122.820 0.209 0.000 1.832 117 A HA 0.202 4.522 4.320 0.001 0.000 0.214 117 A C 2.708 180.433 177.584 0.235 0.000 1.200 117 A CA 1.623 53.826 52.037 0.276 0.000 0.610 117 A CB -1.357 17.861 19.000 0.363 0.000 0.842 117 A HN 0.485 nan 8.150 nan 0.000 0.444 118 A N -0.629 122.310 122.820 0.198 0.000 2.032 118 A HA -0.064 4.257 4.320 0.001 0.000 0.221 118 A C 2.138 179.801 177.584 0.131 0.000 1.165 118 A CA 1.620 53.759 52.037 0.169 0.000 0.645 118 A CB -0.614 18.451 19.000 0.109 0.000 0.807 118 A HN 0.500 nan 8.150 nan 0.000 0.453 119 L N -1.824 119.462 121.223 0.105 0.000 2.095 119 L HA -0.045 4.296 4.340 0.001 0.000 0.204 119 L C 2.685 179.590 176.870 0.059 0.000 1.080 119 L CA 1.346 56.225 54.840 0.066 0.000 0.759 119 L CB -0.400 41.682 42.059 0.038 0.000 0.914 119 L HN 0.365 nan 8.230 nan 0.000 0.439 120 R N 0.300 120.837 120.500 0.061 0.000 2.193 120 R HA -0.131 4.210 4.340 0.001 0.000 0.229 120 R C 1.986 178.304 176.300 0.030 0.000 1.110 120 R CA 1.449 57.553 56.100 0.007 0.000 0.988 120 R CB -0.004 30.268 30.300 -0.046 0.000 0.871 120 R HN 0.415 nan 8.270 nan 0.000 0.458 121 V N -2.451 117.518 119.914 0.090 0.000 3.354 121 V HA 0.117 4.237 4.120 0.001 0.000 0.258 121 V C 0.945 177.081 176.094 0.070 0.000 1.159 121 V CA 0.555 62.919 62.300 0.106 0.000 1.125 121 V CB -0.230 31.680 31.823 0.145 0.000 0.774 121 V HN 0.282 nan 8.190 nan 0.000 0.464 122 T N -2.326 112.272 114.554 0.074 0.000 2.897 122 T HA 0.451 4.802 4.350 0.001 0.000 0.278 122 T C 0.282 175.008 174.700 0.043 0.000 0.981 122 T CA 0.090 62.221 62.100 0.052 0.000 0.973 122 T CB 1.881 70.782 68.868 0.055 0.000 1.092 122 T HN 0.234 nan 8.240 nan 0.000 0.543 123 D N -0.166 120.253 120.400 0.032 0.000 2.482 123 D HA 0.254 4.894 4.640 0.001 0.000 0.251 123 D C 1.027 177.349 176.300 0.037 0.000 1.073 123 D CA 0.308 54.331 54.000 0.037 0.000 0.892 123 D CB 0.219 41.034 40.800 0.024 0.000 1.202 123 D HN 0.777 nan 8.370 nan 0.000 0.496 124 G N -0.260 108.553 108.800 0.021 0.000 2.788 124 G HA2 0.694 4.655 3.960 0.001 0.000 0.293 124 G HA3 0.694 4.655 3.960 0.001 0.000 0.293 124 G C -1.425 173.475 174.900 -0.000 0.000 1.305 124 G CA -0.451 44.653 45.100 0.007 0.000 1.005 124 G HN 0.190 nan 8.290 nan 0.000 0.496 125 A N -0.602 122.208 122.820 -0.017 0.000 2.540 125 A HA 0.564 4.885 4.320 0.001 0.000 0.297 125 A C -1.658 175.900 177.584 -0.044 0.000 1.056 125 A CA -0.523 51.500 52.037 -0.024 0.000 0.700 125 A CB 1.776 20.763 19.000 -0.023 0.000 1.280 125 A HN 1.326 nan 8.150 nan 0.000 0.398 126 L N 3.553 124.749 121.223 -0.045 0.000 2.314 126 L HA 0.503 4.844 4.340 0.001 0.000 0.275 126 L C -0.618 176.213 176.870 -0.066 0.000 1.068 126 L CA -0.202 54.599 54.840 -0.065 0.000 0.894 126 L CB 0.782 42.804 42.059 -0.062 0.000 1.275 126 L HN 0.436 nan 8.230 nan 0.000 0.432 127 V N 5.705 125.572 119.914 -0.078 0.000 2.390 127 V HA 0.075 4.196 4.120 0.001 0.000 0.260 127 V C 0.454 176.501 176.094 -0.079 0.000 1.043 127 V CA -0.355 61.905 62.300 -0.066 0.000 1.047 127 V CB 0.560 32.341 31.823 -0.070 0.000 1.066 127 V HN 0.418 nan 8.190 nan 0.000 0.481 128 V N 7.168 127.055 119.914 -0.045 0.000 2.313 128 V HA 0.174 4.295 4.120 0.001 0.000 0.252 128 V C 0.396 176.493 176.094 0.005 0.000 1.112 128 V CA -0.066 62.206 62.300 -0.047 0.000 0.984 128 V CB 0.724 32.535 31.823 -0.021 0.000 1.157 128 V HN 0.647 nan 8.190 nan 0.000 0.493 129 V N 3.391 123.273 119.914 -0.053 0.000 3.134 129 V HA 0.405 4.526 4.120 0.001 0.000 0.313 129 V C 0.069 176.070 176.094 -0.156 0.000 1.069 129 V CA -0.649 61.629 62.300 -0.036 0.000 1.048 129 V CB 2.036 33.830 31.823 -0.048 0.000 1.119 129 V HN 0.815 nan 8.190 nan 0.000 0.461 130 D N -0.307 119.934 120.400 -0.266 0.000 2.268 130 D HA 0.352 4.993 4.640 0.001 0.000 0.249 130 D C 0.854 177.081 176.300 -0.121 0.000 1.008 130 D CA -0.164 53.611 54.000 -0.374 0.000 0.939 130 D CB 2.118 42.448 40.800 -0.783 0.000 1.170 130 D HN 0.521 nan 8.370 nan 0.000 0.468 131 T N 1.448 115.975 114.554 -0.044 0.000 2.770 131 T HA -0.035 4.315 4.350 0.001 0.000 0.258 131 T C 1.742 176.484 174.700 0.070 0.000 1.039 131 T CA 0.818 62.994 62.100 0.126 0.000 1.143 131 T CB -0.160 68.836 68.868 0.214 0.000 0.866 131 T HN 0.335 nan 8.240 nan 0.000 0.428 132 I N 1.429 122.008 120.570 0.014 0.000 2.110 132 I HA -0.056 4.114 4.170 0.001 0.000 0.236 132 I C 2.372 178.492 176.117 0.004 0.000 1.068 132 I CA 1.491 62.798 61.300 0.011 0.000 1.333 132 I CB -0.557 37.446 38.000 0.005 0.000 1.054 132 I HN 0.261 nan 8.210 nan 0.000 0.402 133 E N 0.470 120.658 120.200 -0.020 0.000 2.358 133 E HA 0.151 4.501 4.350 0.001 0.000 0.195 133 E C 1.408 178.021 176.600 0.021 0.000 1.010 133 E CA 0.562 56.968 56.400 0.009 0.000 0.856 133 E CB -0.173 29.550 29.700 0.039 0.000 0.795 133 E HN 0.529 nan 8.360 nan 0.000 0.504 134 G N 0.953 109.752 108.800 -0.001 0.000 2.539 134 G HA2 -0.324 3.637 3.960 0.001 0.000 0.256 134 G HA3 -0.324 3.637 3.960 0.001 0.000 0.256 134 G C -0.017 174.907 174.900 0.041 0.000 1.233 134 G CA -0.228 44.886 45.100 0.023 0.000 0.936 134 G HN 0.132 nan 8.290 nan 0.000 0.571 135 V N 1.840 121.785 119.914 0.053 0.000 2.387 135 V HA 0.380 4.500 4.120 0.001 0.000 0.260 135 V C 1.633 177.781 176.094 0.090 0.000 1.054 135 V CA -0.219 62.123 62.300 0.071 0.000 0.967 135 V CB -0.605 31.245 31.823 0.045 0.000 1.036 135 V HN 1.298 nan 8.190 nan 0.000 0.481 136 C N 4.417 123.799 119.300 0.136 0.000 2.639 136 C HA 0.434 4.894 4.460 0.001 0.000 0.360 136 C C 1.949 176.984 174.990 0.074 0.000 1.351 136 C CA -0.458 58.628 59.018 0.113 0.000 2.408 136 C CB 0.209 28.029 27.740 0.133 0.000 2.517 136 C HN 0.610 nan 8.230 nan 0.000 0.696 137 V N 1.194 121.143 119.914 0.058 0.000 2.287 137 V HA -0.248 3.872 4.120 0.001 0.000 0.248 137 V C 2.779 178.887 176.094 0.024 0.000 1.053 137 V CA 2.553 64.875 62.300 0.037 0.000 1.027 137 V CB -1.431 30.408 31.823 0.028 0.000 0.646 137 V HN 1.046 nan 8.190 nan 0.000 0.447 138 Q N 0.334 120.148 119.800 0.023 0.000 1.985 138 Q HA -0.255 4.085 4.340 0.001 0.000 0.207 138 Q C 2.245 178.243 176.000 -0.003 0.000 0.996 138 Q CA 2.898 58.697 55.803 -0.007 0.000 0.851 138 Q CB -0.468 28.240 28.738 -0.051 0.000 0.921 138 Q HN 0.609 nan 8.270 nan 0.000 0.418 139 T N 0.791 115.357 114.554 0.019 0.000 2.803 139 T HA -0.195 4.155 4.350 0.001 0.000 0.269 139 T C 1.510 176.216 174.700 0.010 0.000 1.052 139 T CA 1.478 63.590 62.100 0.021 0.000 1.136 139 T CB -0.235 68.670 68.868 0.061 0.000 0.864 139 T HN 0.449 nan 8.240 nan 0.000 0.467 140 E N 0.366 120.576 120.200 0.017 0.000 2.107 140 E HA -0.131 4.219 4.350 0.001 0.000 0.191 140 E C 2.069 178.652 176.600 -0.029 0.000 0.982 140 E CA 1.191 57.598 56.400 0.012 0.000 0.809 140 E CB -0.004 29.717 29.700 0.034 0.000 0.756 140 E HN 0.408 nan 8.360 nan 0.000 0.459 141 T N 0.753 115.287 114.554 -0.033 0.000 2.614 141 T HA -0.143 4.207 4.350 0.001 0.000 0.263 141 T C 1.987 176.636 174.700 -0.086 0.000 1.055 141 T CA 1.627 63.689 62.100 -0.062 0.000 1.162 141 T CB -0.425 68.434 68.868 -0.016 0.000 0.863 141 T HN 0.035 nan 8.240 nan 0.000 0.414 142 V N 1.741 121.629 119.914 -0.044 0.000 2.363 142 V HA -0.189 3.932 4.120 0.001 0.000 0.254 142 V C 2.431 178.477 176.094 -0.080 0.000 1.074 142 V CA 1.480 63.753 62.300 -0.045 0.000 1.069 142 V CB -0.846 30.967 31.823 -0.018 0.000 0.659 142 V HN 0.281 nan 8.190 nan 0.000 0.455 143 L N -0.026 121.153 121.223 -0.073 0.000 2.017 143 L HA -0.124 4.217 4.340 0.001 0.000 0.208 143 L C 2.596 179.394 176.870 -0.119 0.000 1.073 143 L CA 1.895 56.694 54.840 -0.069 0.000 0.745 143 L CB -0.731 41.312 42.059 -0.028 0.000 0.894 143 L HN 0.159 nan 8.230 nan 0.000 0.432 144 R N -1.116 119.254 120.500 -0.216 0.000 2.133 144 R HA -0.226 4.115 4.340 0.001 0.000 0.247 144 R C 2.247 178.341 176.300 -0.343 0.000 1.151 144 R CA 1.542 57.401 56.100 -0.401 0.000 0.971 144 R CB -0.244 29.648 30.300 -0.679 0.000 0.866 144 R HN 0.496 nan 8.270 nan 0.000 0.447 145 Q N -0.111 119.488 119.800 -0.335 0.000 1.967 145 Q HA -0.099 4.241 4.340 0.001 0.000 0.202 145 Q C 2.244 178.125 176.000 -0.198 0.000 0.985 145 Q CA 1.851 57.441 55.803 -0.355 0.000 0.839 145 Q CB -0.712 27.860 28.738 -0.276 0.000 0.906 145 Q HN 0.340 nan 8.270 nan 0.000 0.423 146 A N 1.152 123.900 122.820 -0.120 0.000 1.940 146 A HA -0.228 4.093 4.320 0.001 0.000 0.221 146 A C 2.319 179.869 177.584 -0.057 0.000 1.190 146 A CA 1.804 53.802 52.037 -0.065 0.000 0.647 146 A CB -1.008 17.965 19.000 -0.045 0.000 0.821 146 A HN 0.373 nan 8.150 nan 0.000 0.457 147 L N -1.014 120.169 121.223 -0.067 0.000 2.046 147 L HA -0.151 4.190 4.340 0.001 0.000 0.208 147 L C 2.851 179.694 176.870 -0.045 0.000 1.077 147 L CA 1.188 56.007 54.840 -0.035 0.000 0.747 147 L CB -0.948 41.117 42.059 0.011 0.000 0.896 147 L HN 0.502 nan 8.230 nan 0.000 0.432 148 G N -0.655 108.083 108.800 -0.103 0.000 2.432 148 G HA2 -0.197 3.764 3.960 0.001 0.000 0.219 148 G HA3 -0.197 3.764 3.960 0.001 0.000 0.219 148 G C 1.403 176.271 174.900 -0.054 0.000 1.135 148 G CA 0.338 45.378 45.100 -0.099 0.000 0.767 148 G HN 0.275 nan 8.290 nan 0.000 0.550 149 E N 0.135 120.304 120.200 -0.052 0.000 2.502 149 E HA 0.067 4.418 4.350 0.001 0.000 0.194 149 E C 0.691 177.313 176.600 0.036 0.000 1.062 149 E CA -0.148 56.244 56.400 -0.014 0.000 0.867 149 E CB 0.039 29.728 29.700 -0.018 0.000 0.888 149 E HN 0.422 nan 8.360 nan 0.000 0.510 150 R N 0.108 120.636 120.500 0.046 0.000 3.418 150 R HA -0.152 4.189 4.340 0.001 0.000 0.274 150 R C -0.454 175.922 176.300 0.125 0.000 1.108 150 R CA 0.305 56.471 56.100 0.110 0.000 0.741 150 R CB -2.273 28.183 30.300 0.260 0.000 1.223 150 R HN 0.142 nan 8.270 nan 0.000 0.434 151 I N 1.204 121.806 120.570 0.054 0.000 2.312 151 I HA 0.133 4.304 4.170 0.001 0.000 0.290 151 I C 0.636 176.761 176.117 0.013 0.000 1.008 151 I CA -0.941 60.384 61.300 0.042 0.000 1.226 151 I CB 1.354 39.364 38.000 0.017 0.000 1.371 151 I HN -0.031 nan 8.210 nan 0.000 0.468 152 K N 9.822 130.234 120.400 0.020 0.000 2.472 152 K HA 0.150 4.471 4.320 0.001 0.000 0.280 152 K C -2.358 174.217 176.600 -0.042 0.000 1.028 152 K CA -0.708 55.569 56.287 -0.017 0.000 1.045 152 K CB 0.434 32.933 32.500 -0.002 0.000 0.902 152 K HN 0.220 nan 8.250 nan 0.000 0.478 153 P HA 0.186 nan 4.420 nan 0.000 0.290 153 P C -1.176 176.048 177.300 -0.128 0.000 1.275 153 P CA -0.620 62.425 63.100 -0.092 0.000 0.841 153 P CB 1.517 33.158 31.700 -0.098 0.000 1.042 154 V N 3.544 123.382 119.914 -0.126 0.000 2.525 154 V HA 0.197 4.317 4.120 0.001 0.000 0.299 154 V C 0.239 176.224 176.094 -0.182 0.000 1.034 154 V CA -0.758 61.445 62.300 -0.160 0.000 0.863 154 V CB 2.211 33.964 31.823 -0.116 0.000 0.999 154 V HN 0.286 nan 8.190 nan 0.000 0.423 155 V N 5.585 125.353 119.914 -0.244 0.000 2.567 155 V HA 0.544 4.664 4.120 0.001 0.000 0.289 155 V C -0.171 175.713 176.094 -0.351 0.000 1.049 155 V CA -0.401 61.735 62.300 -0.273 0.000 0.969 155 V CB 1.852 33.496 31.823 -0.298 0.000 0.995 155 V HN 0.575 nan 8.190 nan 0.000 0.471 156 V N 5.782 125.499 119.914 -0.329 0.000 2.498 156 V HA 0.367 4.487 4.120 0.001 0.000 0.283 156 V C -0.302 175.578 176.094 -0.357 0.000 1.015 156 V CA -0.247 61.824 62.300 -0.381 0.000 0.867 156 V CB 1.593 33.256 31.823 -0.267 0.000 1.025 156 V HN 0.699 nan 8.190 nan 0.000 0.441 157 I N 4.333 124.616 120.570 -0.478 0.000 2.329 157 I HA 0.217 4.388 4.170 0.001 0.000 0.295 157 I C 0.489 176.430 176.117 -0.293 0.000 1.109 157 I CA 0.240 61.343 61.300 -0.327 0.000 1.297 157 I CB 0.386 38.197 38.000 -0.316 0.000 1.433 157 I HN 0.587 nan 8.210 nan 0.000 0.509 158 N N 5.453 124.014 118.700 -0.232 0.000 2.476 158 N HA 0.263 5.004 4.740 0.001 0.000 0.275 158 N C -0.383 175.016 175.510 -0.185 0.000 1.190 158 N CA -0.405 52.507 53.050 -0.230 0.000 0.977 158 N CB 0.708 39.085 38.487 -0.183 0.000 1.200 158 N HN 0.370 nan 8.380 nan 0.000 0.515 159 K N 0.129 120.410 120.400 -0.198 0.000 3.200 159 K HA -0.123 4.198 4.320 0.001 0.000 0.272 159 K C 0.176 176.742 176.600 -0.057 0.000 1.150 159 K CA 0.205 56.411 56.287 -0.135 0.000 0.801 159 K CB -1.984 30.451 32.500 -0.108 0.000 1.269 159 K HN 0.271 nan 8.250 nan 0.000 0.500 160 V N 0.100 119.977 119.914 -0.062 0.000 2.809 160 V HA -0.225 3.896 4.120 0.001 0.000 0.256 160 V C 2.217 178.438 176.094 0.211 0.000 1.080 160 V CA 2.260 64.652 62.300 0.153 0.000 1.102 160 V CB -0.410 31.571 31.823 0.263 0.000 0.705 160 V HN 0.612 nan 8.190 nan 0.000 0.475 161 D N 0.878 121.362 120.400 0.139 0.000 2.144 161 D HA -0.279 4.362 4.640 0.001 0.000 0.199 161 D C 2.169 178.558 176.300 0.147 0.000 0.984 161 D CA 1.365 55.488 54.000 0.205 0.000 0.834 161 D CB -0.426 40.283 40.800 -0.152 0.000 0.955 161 D HN 0.336 nan 8.370 nan 0.000 0.465 162 R N 0.132 120.677 120.500 0.076 0.000 2.159 162 R HA -0.084 4.257 4.340 0.001 0.000 0.237 162 R C 2.011 178.361 176.300 0.083 0.000 1.131 162 R CA 1.300 57.442 56.100 0.070 0.000 0.982 162 R CB -0.294 30.026 30.300 0.034 0.000 0.868 162 R HN 0.326 nan 8.270 nan 0.000 0.453 163 A N 0.441 123.324 122.820 0.104 0.000 2.016 163 A HA 0.022 4.343 4.320 0.001 0.000 0.217 163 A C 1.956 179.598 177.584 0.095 0.000 1.162 163 A CA 0.622 52.721 52.037 0.103 0.000 0.662 163 A CB -0.068 19.011 19.000 0.132 0.000 0.812 163 A HN 0.281 nan 8.150 nan 0.000 0.450 164 L N -1.387 119.893 121.223 0.095 0.000 2.115 164 L HA 0.009 4.349 4.340 0.001 0.000 0.200 164 L C 2.253 179.166 176.870 0.071 0.000 1.094 164 L CA 0.321 55.178 54.840 0.029 0.000 0.769 164 L CB -0.859 41.179 42.059 -0.036 0.000 0.931 164 L HN 0.203 nan 8.230 nan 0.000 0.455 165 L N 0.181 121.483 121.223 0.132 0.000 2.043 165 L HA -0.214 4.126 4.340 0.001 0.000 0.212 165 L C 2.427 179.341 176.870 0.073 0.000 1.075 165 L CA 1.767 56.671 54.840 0.108 0.000 0.752 165 L CB -0.782 41.359 42.059 0.136 0.000 0.891 165 L HN 0.273 nan 8.230 nan 0.000 0.432 166 E N -0.909 119.335 120.200 0.073 0.000 2.023 166 E HA -0.094 4.256 4.350 0.001 0.000 0.195 166 E C 2.054 178.685 176.600 0.051 0.000 0.964 166 E CA 0.546 56.980 56.400 0.057 0.000 0.845 166 E CB -0.271 29.461 29.700 0.054 0.000 0.813 166 E HN 0.163 nan 8.360 nan 0.000 0.476 167 L N 1.016 122.271 121.223 0.053 0.000 2.191 167 L HA -0.146 4.194 4.340 0.001 0.000 0.212 167 L C 0.703 177.606 176.870 0.055 0.000 1.103 167 L CA 1.251 56.121 54.840 0.050 0.000 0.769 167 L CB -0.682 41.407 42.059 0.051 0.000 0.908 167 L HN 0.234 nan 8.230 nan 0.000 0.438 168 Q N -1.024 118.811 119.800 0.059 0.000 2.468 168 Q HA -0.198 4.143 4.340 0.001 0.000 0.289 168 Q C 0.034 176.093 176.000 0.098 0.000 1.299 168 Q CA 0.312 56.152 55.803 0.061 0.000 0.838 168 Q CB -1.960 26.809 28.738 0.052 0.000 1.195 168 Q HN 0.309 nan 8.270 nan 0.000 0.456 169 V N 1.171 121.156 119.914 0.119 0.000 2.843 169 V HA 0.205 4.326 4.120 0.001 0.000 0.305 169 V C 0.979 177.230 176.094 0.263 0.000 1.065 169 V CA 0.768 63.156 62.300 0.147 0.000 1.116 169 V CB 1.478 33.373 31.823 0.121 0.000 0.968 169 V HN 0.523 nan 8.190 nan 0.000 0.487 170 S N 5.564 121.360 115.700 0.161 0.000 2.641 170 S HA 0.290 4.761 4.470 0.001 0.000 0.261 170 S C 0.913 175.481 174.600 -0.053 0.000 1.257 170 S CA -0.146 58.116 58.200 0.103 0.000 0.983 170 S CB 0.623 63.832 63.200 0.014 0.000 0.990 170 S HN 0.755 nan 8.310 nan 0.000 0.572 171 K N 0.217 120.402 120.400 -0.358 0.000 2.057 171 K HA -0.104 4.217 4.320 0.001 0.000 0.206 171 K C 2.178 178.673 176.600 -0.175 0.000 1.050 171 K CA 1.503 57.481 56.287 -0.515 0.000 0.935 171 K CB -0.256 31.872 32.500 -0.620 0.000 0.715 171 K HN 0.692 nan 8.250 nan 0.000 0.439 172 E N 1.537 121.669 120.200 -0.114 0.000 2.072 172 E HA -0.160 4.190 4.350 0.001 0.000 0.190 172 E C 1.402 178.015 176.600 0.021 0.000 0.982 172 E CA 1.492 57.873 56.400 -0.031 0.000 0.803 172 E CB -0.067 29.604 29.700 -0.049 0.000 0.755 172 E HN 0.153 nan 8.360 nan 0.000 0.453 173 D N 0.020 120.415 120.400 -0.009 0.000 2.117 173 D HA -0.152 4.489 4.640 0.001 0.000 0.197 173 D C 1.919 178.184 176.300 -0.059 0.000 0.987 173 D CA 0.831 54.822 54.000 -0.014 0.000 0.829 173 D CB -0.249 40.551 40.800 0.000 0.000 0.961 173 D HN 0.215 nan 8.370 nan 0.000 0.460 174 L N 0.183 121.368 121.223 -0.063 0.000 2.093 174 L HA -0.144 4.196 4.340 0.001 0.000 0.208 174 L C 2.205 178.818 176.870 -0.429 0.000 1.085 174 L CA 1.341 56.058 54.840 -0.204 0.000 0.755 174 L CB -0.855 41.184 42.059 -0.034 0.000 0.904 174 L HN 0.009 nan 8.230 nan 0.000 0.435 175 Y N -0.123 120.017 120.300 -0.266 0.000 2.181 175 Y HA -0.253 4.298 4.550 0.001 0.000 0.288 175 Y C 2.444 178.200 175.900 -0.241 0.000 1.146 175 Y CA 1.900 59.861 58.100 -0.232 0.000 1.164 175 Y CB -0.187 38.184 38.460 -0.147 0.000 0.982 175 Y HN 0.285 nan 8.280 nan 0.000 0.515 176 Q N -0.373 119.313 119.800 -0.190 0.000 2.226 176 Q HA -0.146 4.194 4.340 0.001 0.000 0.204 176 Q C 2.162 178.035 176.000 -0.212 0.000 0.975 176 Q CA 1.884 57.571 55.803 -0.192 0.000 0.866 176 Q CB -0.726 27.988 28.738 -0.041 0.000 0.915 176 Q HN 0.517 nan 8.270 nan 0.000 0.440 177 T N 0.944 115.340 114.554 -0.263 0.000 2.746 177 T HA -0.089 4.262 4.350 0.001 0.000 0.267 177 T C 1.411 176.088 174.700 -0.038 0.000 1.039 177 T CA 1.024 63.007 62.100 -0.194 0.000 1.142 177 T CB -0.212 68.487 68.868 -0.282 0.000 0.866 177 T HN 0.153 nan 8.240 nan 0.000 0.444 178 F N 1.529 121.482 119.950 0.006 0.000 2.259 178 F HA 0.274 4.802 4.527 0.001 0.000 0.298 178 F C 2.570 178.447 175.800 0.129 0.000 1.088 178 F CA -0.237 57.835 58.000 0.120 0.000 1.358 178 F CB -1.283 37.870 39.000 0.256 0.000 1.040 178 F HN 0.143 nan 8.300 nan 0.000 0.505 179 A N 0.147 123.056 122.820 0.148 0.000 2.014 179 A HA -0.086 4.235 4.320 0.001 0.000 0.218 179 A C 2.357 180.002 177.584 0.102 0.000 1.163 179 A CA 0.868 52.992 52.037 0.145 0.000 0.652 179 A CB -0.419 18.495 19.000 -0.143 0.000 0.808 179 A HN 0.262 nan 8.150 nan 0.000 0.449 180 R N -1.082 119.451 120.500 0.055 0.000 2.100 180 R HA -0.017 4.323 4.340 0.001 0.000 0.220 180 R C 2.114 178.454 176.300 0.065 0.000 1.091 180 R CA 1.532 57.660 56.100 0.047 0.000 0.986 180 R CB -0.668 29.645 30.300 0.023 0.000 0.888 180 R HN 0.457 nan 8.270 nan 0.000 0.444 181 T N 1.246 115.858 114.554 0.097 0.000 2.643 181 T HA -0.088 4.263 4.350 0.001 0.000 0.264 181 T C 1.977 176.713 174.700 0.061 0.000 1.045 181 T CA 1.382 63.537 62.100 0.092 0.000 1.155 181 T CB -0.178 68.782 68.868 0.153 0.000 0.863 181 T HN -0.026 nan 8.240 nan 0.000 0.420 182 V N 1.537 121.498 119.914 0.079 0.000 2.913 182 V HA -0.077 4.043 4.120 0.001 0.000 0.260 182 V C 2.449 178.554 176.094 0.017 0.000 1.098 182 V CA 1.443 63.749 62.300 0.011 0.000 1.121 182 V CB -0.597 31.219 31.823 -0.013 0.000 0.714 182 V HN 0.378 nan 8.190 nan 0.000 0.487 183 E N 0.627 120.860 120.200 0.055 0.000 2.076 183 E HA -0.102 4.249 4.350 0.001 0.000 0.190 183 E C 2.341 178.953 176.600 0.020 0.000 0.979 183 E CA 1.406 57.834 56.400 0.047 0.000 0.807 183 E CB -0.278 29.459 29.700 0.061 0.000 0.761 183 E HN 0.497 nan 8.360 nan 0.000 0.454 184 S N -0.497 115.217 115.700 0.023 0.000 2.419 184 S HA -0.113 4.358 4.470 0.001 0.000 0.233 184 S C 1.917 176.521 174.600 0.005 0.000 1.016 184 S CA 1.058 59.268 58.200 0.017 0.000 0.974 184 S CB -0.170 63.046 63.200 0.027 0.000 0.786 184 S HN 0.133 nan 8.310 nan 0.000 0.492 185 V N 3.341 123.249 119.914 -0.010 0.000 2.255 185 V HA -0.170 3.951 4.120 0.001 0.000 0.243 185 V C 2.385 178.448 176.094 -0.052 0.000 1.038 185 V CA 1.884 64.163 62.300 -0.034 0.000 1.008 185 V CB -1.010 30.771 31.823 -0.070 0.000 0.645 185 V HN 0.627 nan 8.190 nan 0.000 0.449 186 N N 1.113 119.773 118.700 -0.066 0.000 2.205 186 N HA -0.165 4.575 4.740 0.001 0.000 0.186 186 N C 1.478 176.948 175.510 -0.066 0.000 1.015 186 N CA 1.984 54.984 53.050 -0.083 0.000 0.862 186 N CB -0.764 37.681 38.487 -0.069 0.000 0.986 186 N HN 0.269 nan 8.380 nan 0.000 0.429 187 V N 0.870 120.756 119.914 -0.047 0.000 2.287 187 V HA -0.192 3.928 4.120 0.001 0.000 0.248 187 V C 2.392 178.418 176.094 -0.113 0.000 1.053 187 V CA 1.353 63.614 62.300 -0.064 0.000 1.027 187 V CB -0.508 31.292 31.823 -0.038 0.000 0.646 187 V HN 0.339 nan 8.190 nan 0.000 0.447 188 I N -0.210 120.322 120.570 -0.062 0.000 2.252 188 I HA -0.153 4.018 4.170 0.001 0.000 0.245 188 I C 2.467 178.558 176.117 -0.044 0.000 1.102 188 I CA 1.380 62.667 61.300 -0.021 0.000 1.385 188 I CB -1.135 36.940 38.000 0.125 0.000 1.064 188 I HN 0.181 nan 8.210 nan 0.000 0.414 189 V N 1.530 121.414 119.914 -0.049 0.000 2.261 189 V HA -0.269 3.852 4.120 0.001 0.000 0.246 189 V C 2.768 178.805 176.094 -0.095 0.000 1.047 189 V CA 2.255 64.517 62.300 -0.064 0.000 1.015 189 V CB -1.125 30.633 31.823 -0.108 0.000 0.642 189 V HN 0.555 nan 8.190 nan 0.000 0.446 190 S N -0.451 115.181 115.700 -0.113 0.000 2.368 190 S HA -0.232 4.239 4.470 0.001 0.000 0.225 190 S C 1.916 176.424 174.600 -0.153 0.000 1.030 190 S CA 1.981 60.116 58.200 -0.108 0.000 0.999 190 S CB -0.912 62.239 63.200 -0.082 0.000 0.844 190 S HN 0.590 nan 8.310 nan 0.000 0.459 191 T N 1.659 116.058 114.554 -0.259 0.000 2.569 191 T HA -0.081 4.270 4.350 0.001 0.000 0.263 191 T C 1.251 175.720 174.700 -0.387 0.000 1.074 191 T CA 1.860 63.706 62.100 -0.423 0.000 1.176 191 T CB -0.727 67.676 68.868 -0.776 0.000 0.863 191 T HN 0.598 nan 8.240 nan 0.000 0.410 192 Y N 1.478 121.748 120.300 -0.049 0.000 2.529 192 Y HA 0.540 5.091 4.550 0.001 0.000 0.290 192 Y C 1.096 176.959 175.900 -0.063 0.000 1.177 192 Y CA -1.008 57.058 58.100 -0.057 0.000 1.305 192 Y CB -0.790 37.630 38.460 -0.067 0.000 1.047 192 Y HN 0.139 nan 8.280 nan 0.000 0.522 193 A N 0.219 123.046 122.820 0.013 0.000 2.289 193 A HA 0.315 4.636 4.320 0.001 0.000 0.298 193 A C -0.328 177.237 177.584 -0.031 0.000 1.208 193 A CA -0.763 51.265 52.037 -0.014 0.000 0.845 193 A CB -0.044 18.928 19.000 -0.048 0.000 1.125 193 A HN 0.228 nan 8.150 nan 0.000 0.517 194 D N 1.522 121.902 120.400 -0.033 0.000 2.478 194 D HA 0.088 4.729 4.640 0.001 0.000 0.234 194 D C 1.162 177.426 176.300 -0.059 0.000 1.154 194 D CA 0.759 54.734 54.000 -0.042 0.000 0.874 194 D CB 0.662 41.430 40.800 -0.052 0.000 1.198 194 D HN 0.686 nan 8.370 nan 0.000 0.455 195 E N 0.540 120.710 120.200 -0.049 0.000 2.072 195 E HA -0.114 4.237 4.350 0.001 0.000 0.190 195 E C 1.974 178.534 176.600 -0.067 0.000 0.982 195 E CA 0.491 56.861 56.400 -0.050 0.000 0.803 195 E CB 0.009 29.688 29.700 -0.034 0.000 0.755 195 E HN 0.216 nan 8.360 nan 0.000 0.453 196 V N 2.102 121.971 119.914 -0.076 0.000 2.282 196 V HA -0.285 3.835 4.120 0.001 0.000 0.249 196 V C 2.371 178.362 176.094 -0.171 0.000 1.057 196 V CA 1.655 63.893 62.300 -0.103 0.000 1.032 196 V CB -0.621 31.145 31.823 -0.095 0.000 0.645 196 V HN 0.287 nan 8.190 nan 0.000 0.447 197 L N -0.067 121.023 121.223 -0.222 0.000 2.261 197 L HA 0.070 4.411 4.340 0.001 0.000 0.216 197 L C 1.383 178.153 176.870 -0.166 0.000 1.114 197 L CA 0.966 55.638 54.840 -0.281 0.000 0.777 197 L CB -1.160 40.753 42.059 -0.244 0.000 0.910 197 L HN 0.659 nan 8.230 nan 0.000 0.440 198 G N -0.155 108.577 108.800 -0.112 0.000 2.782 198 G HA2 -0.220 3.741 3.960 0.001 0.000 0.228 198 G HA3 -0.220 3.741 3.960 0.001 0.000 0.228 198 G C -0.675 174.190 174.900 -0.058 0.000 1.372 198 G CA -0.582 44.476 45.100 -0.069 0.000 0.862 198 G HN 0.173 nan 8.290 nan 0.000 0.547 199 D N -0.194 120.190 120.400 -0.027 0.000 2.401 199 D HA 0.232 4.872 4.640 0.001 0.000 0.254 199 D C 0.995 177.269 176.300 -0.042 0.000 1.192 199 D CA 0.618 54.610 54.000 -0.014 0.000 0.885 199 D CB 1.731 42.565 40.800 0.056 0.000 1.147 199 D HN 0.649 nan 8.370 nan 0.000 0.478 200 V N 3.346 123.202 119.914 -0.098 0.000 3.380 200 V HA 0.003 4.123 4.120 0.001 0.000 0.307 200 V C 0.614 176.552 176.094 -0.259 0.000 1.434 200 V CA -0.042 62.174 62.300 -0.141 0.000 1.075 200 V CB -0.104 31.649 31.823 -0.116 0.000 0.954 200 V HN 0.453 nan 8.190 nan 0.000 0.444 201 Q N 1.094 120.690 119.800 -0.341 0.000 2.326 201 Q HA 0.068 4.408 4.340 0.001 0.000 0.314 201 Q C 0.044 175.493 176.000 -0.919 0.000 1.091 201 Q CA 0.705 56.164 55.803 -0.573 0.000 0.974 201 Q CB 1.065 29.457 28.738 -0.577 0.000 1.220 201 Q HN 0.560 nan 8.270 nan 0.000 0.398 202 V N 1.083 120.596 119.914 -0.668 0.000 2.408 202 V HA 0.272 4.393 4.120 0.001 0.000 0.267 202 V C -1.027 174.713 176.094 -0.590 0.000 1.047 202 V CA -0.535 61.416 62.300 -0.581 0.000 0.937 202 V CB -0.261 31.334 31.823 -0.380 0.000 0.999 202 V HN 0.469 nan 8.190 nan 0.000 0.472 203 Y N 5.338 125.486 120.300 -0.254 0.000 2.328 203 Y HA 0.494 5.045 4.550 0.001 0.000 0.336 203 Y C -1.865 173.816 175.900 -0.364 0.000 0.960 203 Y CA -2.654 55.275 58.100 -0.284 0.000 1.134 203 Y CB 1.930 40.277 38.460 -0.189 0.000 1.166 203 Y HN 0.411 nan 8.280 nan 0.000 0.464 204 P HA -0.175 nan 4.420 nan 0.000 0.217 204 P C 1.141 178.331 177.300 -0.183 0.000 1.150 204 P CA 2.087 64.934 63.100 -0.423 0.000 0.832 204 P CB 0.326 31.439 31.700 -0.979 0.000 0.787 205 A N -0.678 122.007 122.820 -0.226 0.000 2.248 205 A HA -0.075 4.245 4.320 0.001 0.000 0.210 205 A C 1.857 179.477 177.584 0.061 0.000 1.174 205 A CA 0.927 52.987 52.037 0.038 0.000 0.750 205 A CB -0.823 18.242 19.000 0.109 0.000 0.780 205 A HN 0.148 nan 8.150 nan 0.000 0.478 206 R N -2.282 118.238 120.500 0.033 0.000 2.419 206 R HA 0.271 4.612 4.340 0.001 0.000 0.235 206 R C 1.065 177.413 176.300 0.080 0.000 0.899 206 R CA 0.561 56.699 56.100 0.063 0.000 1.048 206 R CB 0.507 30.854 30.300 0.078 0.000 1.182 206 R HN 0.625 nan 8.270 nan 0.000 0.544 207 G N 1.464 110.286 108.800 0.036 0.000 2.144 207 G HA2 -0.251 3.710 3.960 0.001 0.000 0.218 207 G HA3 -0.251 3.710 3.960 0.001 0.000 0.218 207 G C 0.597 175.443 174.900 -0.090 0.000 0.988 207 G CA 0.498 45.656 45.100 0.098 0.000 0.659 207 G HN 0.356 nan 8.290 nan 0.000 0.522 208 T N -2.195 112.136 114.554 -0.371 0.000 3.223 208 T HA 0.598 4.948 4.350 0.001 0.000 0.259 208 T C 0.107 174.578 174.700 -0.382 0.000 1.015 208 T CA 0.209 61.983 62.100 -0.543 0.000 0.908 208 T CB 1.121 69.615 68.868 -0.623 0.000 1.054 208 T HN 0.968 nan 8.240 nan 0.000 0.567 209 V N 0.889 120.591 119.914 -0.354 0.000 2.653 209 V HA 0.741 4.862 4.120 0.001 0.000 0.298 209 V C -0.351 175.295 176.094 -0.747 0.000 1.097 209 V CA -1.194 60.784 62.300 -0.536 0.000 0.908 209 V CB 1.209 32.693 31.823 -0.565 0.000 1.024 209 V HN 0.616 nan 8.190 nan 0.000 0.435 210 A N 4.739 127.048 122.820 -0.852 0.000 2.311 210 A HA 1.050 5.371 4.320 0.001 0.000 0.334 210 A C -1.187 175.584 177.584 -1.354 0.000 1.139 210 A CA -0.473 51.052 52.037 -0.854 0.000 0.830 210 A CB 1.222 19.981 19.000 -0.401 0.000 1.234 210 A HN 0.695 nan 8.150 nan 0.000 0.483 211 F N -0.280 119.209 119.950 -0.769 0.000 2.578 211 F HA 0.767 5.295 4.527 0.001 0.000 0.311 211 F C 0.655 175.944 175.800 -0.852 0.000 1.094 211 F CA 0.085 57.545 58.000 -0.900 0.000 0.923 211 F CB 2.597 40.909 39.000 -1.148 0.000 1.230 211 F HN 1.064 nan 8.300 nan 0.000 0.450 212 G N 0.335 108.776 108.800 -0.598 0.000 2.327 212 G HA2 0.422 4.383 3.960 0.001 0.000 0.291 212 G HA3 0.422 4.383 3.960 0.001 0.000 0.291 212 G C -2.074 172.253 174.900 -0.955 0.000 1.290 212 G CA -0.764 43.664 45.100 -1.121 0.000 0.857 212 G HN 0.708 nan 8.290 nan 0.000 0.520 213 S N -1.545 113.443 115.700 -1.187 0.000 2.538 213 S HA 0.626 5.097 4.470 0.001 0.000 0.288 213 S C 1.147 175.533 174.600 -0.356 0.000 1.108 213 S CA 0.704 58.528 58.200 -0.627 0.000 0.971 213 S CB 1.402 64.269 63.200 -0.555 0.000 1.041 213 S HN 1.757 nan 8.310 nan 0.000 0.483 214 G N 2.858 111.551 108.800 -0.179 0.000 2.453 214 G HA2 -0.015 3.946 3.960 0.001 0.000 0.215 214 G HA3 -0.015 3.946 3.960 0.001 0.000 0.215 214 G C 1.214 176.134 174.900 0.033 0.000 1.147 214 G CA 0.640 45.702 45.100 -0.063 0.000 0.802 214 G HN 0.623 nan 8.290 nan 0.000 0.535 215 L N 0.676 121.936 121.223 0.062 0.000 1.990 215 L HA -0.112 4.229 4.340 0.001 0.000 0.213 215 L C 2.483 179.560 176.870 0.345 0.000 1.072 215 L CA 2.091 57.048 54.840 0.196 0.000 0.755 215 L CB -0.678 41.528 42.059 0.245 0.000 0.889 215 L HN 0.262 nan 8.230 nan 0.000 0.432 216 H N 0.039 119.190 119.070 0.136 0.000 2.535 216 H HA 0.339 4.896 4.556 0.001 0.000 0.273 216 H C 1.548 177.034 175.328 0.263 0.000 0.983 216 H CA 0.115 56.310 56.048 0.245 0.000 1.238 216 H CB -0.435 29.615 29.762 0.480 0.000 1.412 216 H HN 0.497 nan 8.280 nan 0.000 0.562 217 G N -0.141 108.834 108.800 0.292 0.000 2.171 217 G HA2 -0.181 3.779 3.960 0.001 0.000 0.238 217 G HA3 -0.181 3.779 3.960 0.001 0.000 0.238 217 G C -0.081 175.004 174.900 0.308 0.000 1.039 217 G CA 0.283 45.514 45.100 0.218 0.000 0.759 217 G HN 0.496 nan 8.290 nan 0.000 0.501 218 W N -1.146 120.257 121.300 0.173 0.000 2.962 218 W HA 0.861 5.522 4.660 0.001 0.000 0.341 218 W C -0.304 176.299 176.519 0.141 0.000 1.155 218 W CA -1.477 55.974 57.345 0.177 0.000 1.165 218 W CB 1.594 31.222 29.460 0.281 0.000 1.435 218 W HN 1.221 nan 8.180 nan 0.000 0.546 219 A N 2.840 125.869 122.820 0.349 0.000 2.590 219 A HA 0.764 5.084 4.320 0.001 0.000 0.296 219 A C -2.105 175.654 177.584 0.291 0.000 1.050 219 A CA -0.731 51.363 52.037 0.094 0.000 0.697 219 A CB 0.969 19.905 19.000 -0.106 0.000 1.277 219 A HN 1.117 nan 8.150 nan 0.000 0.411 220 F N -0.472 119.627 119.950 0.248 0.000 2.613 220 F HA 0.899 5.427 4.527 0.001 0.000 0.310 220 F C -0.169 175.802 175.800 0.286 0.000 1.085 220 F CA -0.266 57.862 58.000 0.214 0.000 0.945 220 F CB 1.533 40.713 39.000 0.300 0.000 1.298 220 F HN 0.856 nan 8.300 nan 0.000 0.455 221 T N 0.343 115.163 114.554 0.445 0.000 2.912 221 T HA 0.447 4.797 4.350 0.001 0.000 0.288 221 T C 0.826 175.867 174.700 0.569 0.000 1.030 221 T CA -0.807 61.523 62.100 0.385 0.000 1.020 221 T CB 1.368 70.333 68.868 0.162 0.000 1.056 221 T HN 0.639 nan 8.240 nan 0.000 0.480 222 I N 1.046 121.973 120.570 0.595 0.000 2.264 222 I HA -0.111 4.060 4.170 0.001 0.000 0.248 222 I C 2.557 178.911 176.117 0.394 0.000 1.111 222 I CA 1.485 63.134 61.300 0.583 0.000 1.382 222 I CB -1.151 37.150 38.000 0.502 0.000 1.060 222 I HN 0.833 nan 8.210 nan 0.000 0.418 223 R N 0.797 121.460 120.500 0.271 0.000 2.285 223 R HA -0.150 4.191 4.340 0.001 0.000 0.213 223 R C 2.087 178.462 176.300 0.125 0.000 1.068 223 R CA 0.863 57.071 56.100 0.180 0.000 1.004 223 R CB 0.114 30.495 30.300 0.135 0.000 0.873 223 R HN 0.501 nan 8.270 nan 0.000 0.467 224 Q N -0.929 118.936 119.800 0.109 0.000 2.061 224 Q HA -0.060 4.280 4.340 0.001 0.000 0.195 224 Q C 1.127 177.068 176.000 -0.097 0.000 0.967 224 Q CA 1.059 56.827 55.803 -0.058 0.000 0.829 224 Q CB 0.092 28.718 28.738 -0.185 0.000 0.900 224 Q HN 0.306 nan 8.270 nan 0.000 0.450 225 F N 0.025 120.028 119.950 0.089 0.000 2.802 225 F HA 0.095 4.623 4.527 0.001 0.000 0.300 225 F C 1.691 177.580 175.800 0.148 0.000 1.168 225 F CA 0.439 58.467 58.000 0.046 0.000 1.433 225 F CB -0.067 38.998 39.000 0.107 0.000 1.115 225 F HN 0.058 nan 8.300 nan 0.000 0.582 226 A N -1.221 121.772 122.820 0.289 0.000 2.115 226 A HA 0.036 4.357 4.320 0.001 0.000 0.211 226 A C 2.062 179.734 177.584 0.147 0.000 1.169 226 A CA 1.068 53.252 52.037 0.244 0.000 0.787 226 A CB -0.601 18.523 19.000 0.208 0.000 0.858 226 A HN 0.225 nan 8.150 nan 0.000 0.474 227 T N -0.640 113.964 114.554 0.083 0.000 3.067 227 T HA 0.060 4.411 4.350 0.001 0.000 0.257 227 T C 1.922 176.620 174.700 -0.004 0.000 1.105 227 T CA 0.627 62.746 62.100 0.032 0.000 1.104 227 T CB 0.028 68.898 68.868 0.003 0.000 0.925 227 T HN 0.441 nan 8.240 nan 0.000 0.498 228 R N 0.036 120.514 120.500 -0.036 0.000 2.064 228 R HA 0.120 4.460 4.340 0.001 0.000 0.221 228 R C 1.582 177.779 176.300 -0.172 0.000 1.136 228 R CA 0.884 56.896 56.100 -0.146 0.000 0.980 228 R CB -0.256 29.895 30.300 -0.247 0.000 0.876 228 R HN 0.314 nan 8.270 nan 0.000 0.437 229 Y N 0.761 121.070 120.300 0.015 0.000 2.578 229 Y HA 0.086 4.637 4.550 0.001 0.000 0.297 229 Y C 2.051 177.956 175.900 0.008 0.000 1.176 229 Y CA 0.218 58.258 58.100 -0.101 0.000 1.315 229 Y CB -0.368 38.045 38.460 -0.077 0.000 1.031 229 Y HN 0.164 nan 8.280 nan 0.000 0.524 230 A N 0.149 123.063 122.820 0.156 0.000 1.929 230 A HA -0.135 4.185 4.320 0.001 0.000 0.216 230 A C 2.191 179.829 177.584 0.090 0.000 1.176 230 A CA 1.320 53.436 52.037 0.132 0.000 0.628 230 A CB -0.204 18.846 19.000 0.084 0.000 0.816 230 A HN 0.353 nan 8.150 nan 0.000 0.444 231 K N -0.164 120.257 120.400 0.036 0.000 2.137 231 K HA -0.004 4.317 4.320 0.001 0.000 0.202 231 K C 1.984 178.579 176.600 -0.009 0.000 1.052 231 K CA 1.040 57.334 56.287 0.012 0.000 0.961 231 K CB -0.095 32.398 32.500 -0.011 0.000 0.741 231 K HN 0.348 nan 8.250 nan 0.000 0.452 232 K N 0.451 120.807 120.400 -0.073 0.000 1.978 232 K HA -0.101 4.219 4.320 0.001 0.000 0.214 232 K C 1.291 177.805 176.600 -0.144 0.000 1.049 232 K CA 1.343 57.525 56.287 -0.175 0.000 0.939 232 K CB -0.235 32.059 32.500 -0.342 0.000 0.721 232 K HN -0.078 nan 8.250 nan 0.000 0.441 233 F N -0.306 119.659 119.950 0.026 0.000 2.033 233 F HA 0.177 4.705 4.527 0.001 0.000 0.215 233 F C 1.689 177.505 175.800 0.026 0.000 0.855 233 F CA 0.311 58.322 58.000 0.018 0.000 1.163 233 F CB -0.295 38.698 39.000 -0.011 0.000 2.041 233 F HN 0.088 nan 8.300 nan 0.000 0.590 234 G N -0.444 108.521 108.800 0.275 0.000 4.867 234 G HA2 0.497 4.458 3.960 0.001 0.000 0.258 234 G HA3 0.497 4.458 3.960 0.001 0.000 0.258 234 G C -1.618 173.333 174.900 0.085 0.000 0.999 234 G CA -0.061 45.124 45.100 0.140 0.000 0.797 234 G HN 0.261 nan 8.290 nan 0.000 0.505 235 V N 1.151 121.112 119.914 0.079 0.000 2.735 235 V HA 0.383 4.504 4.120 0.001 0.000 0.310 235 V C -0.249 175.857 176.094 0.021 0.000 1.061 235 V CA -1.169 61.135 62.300 0.007 0.000 0.913 235 V CB 2.155 33.925 31.823 -0.088 0.000 1.005 235 V HN 0.544 nan 8.190 nan 0.000 0.428 236 D N 2.348 122.750 120.400 0.004 0.000 2.419 236 D HA 0.013 4.653 4.640 0.001 0.000 0.236 236 D C 1.053 177.363 176.300 0.016 0.000 1.165 236 D CA -0.206 53.802 54.000 0.014 0.000 0.882 236 D CB 0.628 41.431 40.800 0.005 0.000 1.201 236 D HN 0.723 nan 8.370 nan 0.000 0.443 237 K N 0.751 121.171 120.400 0.034 0.000 2.362 237 K HA -0.084 4.237 4.320 0.001 0.000 0.200 237 K C 1.702 178.326 176.600 0.040 0.000 1.046 237 K CA 0.651 56.969 56.287 0.052 0.000 0.952 237 K CB -0.161 32.378 32.500 0.065 0.000 0.753 237 K HN 0.415 nan 8.250 nan 0.000 0.466 238 A N 2.942 125.775 122.820 0.022 0.000 1.834 238 A HA -0.214 4.107 4.320 0.001 0.000 0.216 238 A C 2.201 179.785 177.584 -0.001 0.000 1.203 238 A CA 1.922 53.969 52.037 0.016 0.000 0.621 238 A CB -0.606 18.398 19.000 0.006 0.000 0.841 238 A HN 0.401 nan 8.150 nan 0.000 0.446 239 K N -1.536 118.843 120.400 -0.034 0.000 2.362 239 K HA -0.089 4.231 4.320 0.001 0.000 0.200 239 K C 1.882 178.409 176.600 -0.121 0.000 1.046 239 K CA 1.387 57.625 56.287 -0.082 0.000 0.952 239 K CB -0.150 32.280 32.500 -0.116 0.000 0.753 239 K HN 0.386 nan 8.250 nan 0.000 0.466 240 M N 1.222 120.779 119.600 -0.071 0.000 2.156 240 M HA -0.076 4.405 4.480 0.001 0.000 0.264 240 M C 1.918 178.243 176.300 0.042 0.000 1.067 240 M CA 1.446 56.714 55.300 -0.055 0.000 1.131 240 M CB -0.111 32.514 32.600 0.042 0.000 1.368 240 M HN 0.264 nan 8.290 nan 0.000 0.416 241 M N -2.518 117.137 119.600 0.093 0.000 2.254 241 M HA -0.067 4.414 4.480 0.001 0.000 0.265 241 M C 1.707 178.108 176.300 0.168 0.000 1.066 241 M CA 1.806 57.209 55.300 0.172 0.000 1.123 241 M CB -1.139 31.561 32.600 0.165 0.000 1.388 241 M HN 0.156 nan 8.290 nan 0.000 0.425 242 D N 1.601 122.052 120.400 0.084 0.000 2.106 242 D HA -0.180 4.460 4.640 0.001 0.000 0.191 242 D C 2.063 178.417 176.300 0.090 0.000 0.997 242 D CA 1.732 55.776 54.000 0.074 0.000 0.834 242 D CB -0.029 40.772 40.800 0.002 0.000 0.956 242 D HN 0.473 nan 8.370 nan 0.000 0.448 243 R N 0.049 120.543 120.500 -0.009 0.000 2.081 243 R HA -0.049 4.292 4.340 0.001 0.000 0.235 243 R C 2.692 179.094 176.300 0.171 0.000 1.131 243 R CA 0.607 56.697 56.100 -0.015 0.000 0.960 243 R CB -0.409 29.683 30.300 -0.346 0.000 0.856 243 R HN 0.259 nan 8.270 nan 0.000 0.436 244 L N -0.531 120.849 121.223 0.261 0.000 2.211 244 L HA -0.208 4.133 4.340 0.001 0.000 0.216 244 L C 1.224 178.410 176.870 0.526 0.000 1.092 244 L CA 0.895 55.996 54.840 0.435 0.000 0.767 244 L CB -0.391 41.958 42.059 0.484 0.000 0.894 244 L HN 0.357 nan 8.230 nan 0.000 0.437 245 W N -0.050 121.375 121.300 0.209 0.000 2.799 245 W HA 0.449 5.109 4.660 0.001 0.000 0.349 245 W C 0.580 177.139 176.519 0.068 0.000 1.100 245 W CA 0.307 57.738 57.345 0.144 0.000 1.174 245 W CB 1.509 31.049 29.460 0.134 0.000 1.427 245 W HN 0.118 nan 8.180 nan 0.000 0.547 246 G N 3.040 111.437 108.800 -0.672 0.000 2.553 246 G HA2 -0.251 3.710 3.960 0.001 0.000 0.242 246 G HA3 -0.251 3.710 3.960 0.001 0.000 0.242 246 G C -0.849 173.834 174.900 -0.361 0.000 1.277 246 G CA -0.111 44.763 45.100 -0.377 0.000 0.910 246 G HN 0.495 nan 8.290 nan 0.000 0.576 247 D N 1.759 122.016 120.400 -0.238 0.000 2.411 247 D HA 0.565 5.205 4.640 0.001 0.000 0.225 247 D C -0.302 175.769 176.300 -0.381 0.000 1.156 247 D CA 0.484 54.268 54.000 -0.359 0.000 0.874 247 D CB 0.882 41.660 40.800 -0.036 0.000 1.034 247 D HN 0.522 nan 8.370 nan 0.000 0.502 248 S N 1.820 117.071 115.700 -0.749 0.000 2.626 248 S HA 0.415 4.886 4.470 0.001 0.000 0.275 248 S C -0.872 173.422 174.600 -0.511 0.000 1.175 248 S CA -0.717 57.298 58.200 -0.307 0.000 0.982 248 S CB 0.692 63.896 63.200 0.008 0.000 1.093 248 S HN 0.183 nan 8.310 nan 0.000 0.472 249 F N 1.585 121.647 119.950 0.187 0.000 2.598 249 F HA 0.759 5.287 4.527 0.001 0.000 0.327 249 F C -0.523 175.215 175.800 -0.103 0.000 1.057 249 F CA -1.165 56.838 58.000 0.006 0.000 0.957 249 F CB 1.051 40.007 39.000 -0.073 0.000 1.278 249 F HN 0.514 nan 8.300 nan 0.000 0.484 250 F N 2.377 122.120 119.950 -0.344 0.000 2.716 250 F HA 0.348 4.876 4.527 0.001 0.000 0.354 250 F C -0.408 175.180 175.800 -0.353 0.000 1.168 250 F CA -0.890 56.712 58.000 -0.663 0.000 1.045 250 F CB 0.454 38.849 39.000 -1.008 0.000 1.311 250 F HN 0.377 nan 8.300 nan 0.000 0.477 251 N N 6.933 125.292 118.700 -0.569 0.000 2.468 251 N HA 0.132 4.872 4.740 0.001 0.000 0.265 251 N C -1.949 173.217 175.510 -0.573 0.000 1.199 251 N CA -1.210 51.577 53.050 -0.438 0.000 0.928 251 N CB 1.766 40.057 38.487 -0.328 0.000 1.059 251 N HN 0.313 nan 8.380 nan 0.000 0.467 252 P HA -0.062 nan 4.420 nan 0.000 0.217 252 P C 0.713 177.887 177.300 -0.210 0.000 1.151 252 P CA 1.476 64.439 63.100 -0.227 0.000 0.828 252 P CB 0.463 32.096 31.700 -0.111 0.000 0.788 253 K N -0.608 119.676 120.400 -0.194 0.000 1.980 253 K HA -0.077 4.243 4.320 0.001 0.000 0.208 253 K C 2.225 178.727 176.600 -0.163 0.000 1.043 253 K CA 2.106 58.305 56.287 -0.146 0.000 0.938 253 K CB -1.381 31.045 32.500 -0.122 0.000 0.724 253 K HN 0.200 nan 8.250 nan 0.000 0.438 254 T N -0.349 114.086 114.554 -0.198 0.000 2.929 254 T HA -0.093 4.258 4.350 0.001 0.000 0.271 254 T C 0.566 175.137 174.700 -0.215 0.000 1.085 254 T CA 0.617 62.610 62.100 -0.178 0.000 1.125 254 T CB -0.203 68.564 68.868 -0.169 0.000 0.874 254 T HN 0.064 nan 8.240 nan 0.000 0.494 255 K N 1.098 121.279 120.400 -0.366 0.000 3.077 255 K HA -0.118 4.203 4.320 0.001 0.000 0.264 255 K C -0.681 175.728 176.600 -0.318 0.000 1.008 255 K CA 0.909 56.951 56.287 -0.408 0.000 0.740 255 K CB -1.594 30.837 32.500 -0.113 0.000 1.273 255 K HN 0.670 nan 8.250 nan 0.000 0.477 256 K N -0.541 119.590 120.400 -0.447 0.000 2.523 256 K HA 0.321 4.641 4.320 0.001 0.000 0.257 256 K C -0.604 175.922 176.600 -0.124 0.000 0.932 256 K CA -0.767 55.441 56.287 -0.132 0.000 0.812 256 K CB 1.135 33.612 32.500 -0.039 0.000 1.326 256 K HN -0.047 nan 8.250 nan 0.000 0.433 257 W N 1.443 122.790 121.300 0.078 0.000 2.272 257 W HA 0.286 4.947 4.660 0.001 0.000 0.318 257 W C 0.292 176.860 176.519 0.081 0.000 1.255 257 W CA 0.277 57.707 57.345 0.142 0.000 1.200 257 W CB 1.260 30.803 29.460 0.139 0.000 1.170 257 W HN 0.382 nan 8.180 nan 0.000 0.549 258 T N 2.097 116.853 114.554 0.337 0.000 2.864 258 T HA 0.284 4.634 4.350 0.001 0.000 0.289 258 T C -0.000 174.900 174.700 0.334 0.000 1.082 258 T CA -0.938 61.309 62.100 0.245 0.000 1.009 258 T CB 1.449 70.395 68.868 0.131 0.000 1.234 258 T HN 0.289 nan 8.240 nan 0.000 0.526 259 N N 0.923 119.779 118.700 0.260 0.000 2.351 259 N HA 0.215 4.956 4.740 0.001 0.000 0.254 259 N C -0.779 174.906 175.510 0.291 0.000 1.241 259 N CA -0.065 53.156 53.050 0.285 0.000 0.883 259 N CB 0.785 39.365 38.487 0.157 0.000 1.202 259 N HN 0.356 nan 8.380 nan 0.000 0.512 260 K N 0.788 121.317 120.400 0.215 0.000 2.345 260 K HA 0.141 4.461 4.320 0.001 0.000 0.255 260 K C -0.308 175.976 176.600 -0.526 0.000 0.934 260 K CA -0.562 55.702 56.287 -0.037 0.000 0.801 260 K CB 1.586 34.044 32.500 -0.070 0.000 1.137 260 K HN 0.017 nan 8.250 nan 0.000 0.424 261 D N 0.306 120.298 120.400 -0.681 0.000 2.344 261 D HA -0.009 4.631 4.640 0.001 0.000 0.242 261 D C -0.430 175.474 176.300 -0.660 0.000 1.159 261 D CA 0.109 53.393 54.000 -1.193 0.000 0.859 261 D CB 0.390 40.845 40.800 -0.574 0.000 0.925 261 D HN 0.106 nan 8.370 nan 0.000 0.510 262 T N 0.071 114.348 114.554 -0.462 0.000 3.041 262 T HA 0.147 4.497 4.350 0.001 0.000 0.321 262 T C -1.523 173.046 174.700 -0.219 0.000 1.184 262 T CA -1.019 60.909 62.100 -0.288 0.000 1.050 262 T CB 2.123 70.874 68.868 -0.196 0.000 1.159 262 T HN 0.223 nan 8.240 nan 0.000 0.469 263 D N 1.752 122.041 120.400 -0.184 0.000 2.354 263 D HA 0.368 5.008 4.640 0.001 0.000 0.247 263 D C 1.583 177.818 176.300 -0.108 0.000 1.138 263 D CA -0.085 53.829 54.000 -0.143 0.000 0.958 263 D CB 1.584 42.300 40.800 -0.140 0.000 1.144 263 D HN 0.549 nan 8.370 nan 0.000 0.458 264 A N 2.945 125.712 122.820 -0.088 0.000 1.944 264 A HA -0.286 4.034 4.320 0.001 0.000 0.222 264 A C 1.808 179.352 177.584 -0.065 0.000 1.237 264 A CA 2.077 54.072 52.037 -0.069 0.000 0.668 264 A CB -0.757 18.207 19.000 -0.059 0.000 0.830 264 A HN 0.813 nan 8.150 nan 0.000 0.471 265 E N -1.824 118.335 120.200 -0.069 0.000 2.502 265 E HA 0.283 4.633 4.350 0.001 0.000 0.194 265 E C 1.050 177.610 176.600 -0.067 0.000 1.062 265 E CA 0.279 56.641 56.400 -0.062 0.000 0.867 265 E CB -0.193 29.472 29.700 -0.060 0.000 0.888 265 E HN 0.900 nan 8.360 nan 0.000 0.510 266 G N 2.033 110.785 108.800 -0.080 0.000 2.131 266 G HA2 -0.270 3.691 3.960 0.001 0.000 0.223 266 G HA3 -0.270 3.691 3.960 0.001 0.000 0.223 266 G C -0.028 174.815 174.900 -0.095 0.000 0.990 266 G CA -0.155 44.894 45.100 -0.084 0.000 0.671 266 G HN 0.124 nan 8.290 nan 0.000 0.521 267 K N 0.598 120.935 120.400 -0.105 0.000 2.118 267 K HA 0.471 4.791 4.320 0.001 0.000 0.267 267 K C -2.564 173.948 176.600 -0.146 0.000 0.991 267 K CA -1.961 54.259 56.287 -0.111 0.000 0.916 267 K CB 1.288 33.727 32.500 -0.102 0.000 1.041 267 K HN -0.026 nan 8.250 nan 0.000 0.455 268 P HA 0.071 nan 4.420 nan 0.000 0.271 268 P C -0.944 176.237 177.300 -0.198 0.000 1.226 268 P CA 0.162 63.156 63.100 -0.176 0.000 0.765 268 P CB 0.458 32.078 31.700 -0.133 0.000 0.835 269 L N 2.649 123.700 121.223 -0.286 0.000 2.307 269 L HA 0.378 4.719 4.340 0.001 0.000 0.284 269 L C 0.904 177.693 176.870 -0.135 0.000 1.023 269 L CA -0.775 53.912 54.840 -0.256 0.000 0.810 269 L CB 1.393 43.236 42.059 -0.361 0.000 1.231 269 L HN 0.351 nan 8.230 nan 0.000 0.423 270 E N 3.616 123.778 120.200 -0.064 0.000 2.360 270 E HA 0.095 4.445 4.350 0.001 0.000 0.269 270 E C -0.115 176.537 176.600 0.086 0.000 1.022 270 E CA -0.544 55.832 56.400 -0.040 0.000 0.887 270 E CB 0.963 30.571 29.700 -0.154 0.000 0.990 270 E HN 0.384 nan 8.360 nan 0.000 0.426 271 R N 2.726 123.228 120.500 0.004 0.000 2.679 271 R HA 0.030 4.370 4.340 0.001 0.000 0.268 271 R C 0.882 177.004 176.300 -0.298 0.000 1.044 271 R CA 0.640 56.592 56.100 -0.247 0.000 1.105 271 R CB 0.603 30.614 30.300 -0.482 0.000 0.989 271 R HN 0.751 nan 8.270 nan 0.000 0.447 272 A N 4.818 127.475 122.820 -0.272 0.000 1.958 272 A HA -0.242 4.078 4.320 0.001 0.000 0.221 272 A C 1.765 179.334 177.584 -0.024 0.000 1.178 272 A CA 1.540 53.536 52.037 -0.069 0.000 0.642 272 A CB -0.607 18.597 19.000 0.340 0.000 0.816 272 A HN 0.861 nan 8.150 nan 0.000 0.453 273 F N 1.250 121.100 119.950 -0.167 0.000 2.060 273 F HA -0.158 4.369 4.527 0.001 0.000 0.295 273 F C 1.981 177.680 175.800 -0.169 0.000 1.120 273 F CA 2.180 60.137 58.000 -0.072 0.000 1.205 273 F CB -0.493 38.486 39.000 -0.035 0.000 0.986 273 F HN 0.277 nan 8.300 nan 0.000 0.470 274 N N -0.056 118.570 118.700 -0.124 0.000 2.149 274 N HA -0.233 4.507 4.740 0.001 0.000 0.188 274 N C 1.924 177.215 175.510 -0.365 0.000 1.019 274 N CA 1.817 54.715 53.050 -0.253 0.000 0.857 274 N CB -0.391 37.951 38.487 -0.241 0.000 0.997 274 N HN 0.370 nan 8.380 nan 0.000 0.426 275 M N -1.001 118.326 119.600 -0.455 0.000 2.123 275 M HA -0.027 4.453 4.480 0.001 0.000 0.263 275 M C 0.541 176.472 176.300 -0.616 0.000 1.069 275 M CA 1.555 56.473 55.300 -0.637 0.000 1.133 275 M CB 0.100 32.096 32.600 -1.007 0.000 1.356 275 M HN 0.073 nan 8.290 nan 0.000 0.415 276 F N -1.131 118.650 119.950 -0.282 0.000 2.731 276 F HA 0.128 4.656 4.527 0.001 0.000 0.298 276 F C 1.610 177.171 175.800 -0.399 0.000 1.106 276 F CA 0.037 57.822 58.000 -0.358 0.000 1.329 276 F CB -0.096 38.562 39.000 -0.571 0.000 1.100 276 F HN 0.062 nan 8.300 nan 0.000 0.592 277 I N -0.964 119.330 120.570 -0.459 0.000 3.518 277 I HA 0.069 4.240 4.170 0.001 0.000 0.260 277 I C 2.062 177.769 176.117 -0.683 0.000 1.148 277 I CA 0.585 61.368 61.300 -0.860 0.000 1.440 277 I CB -1.148 36.126 38.000 -1.211 0.000 1.485 277 I HN 0.011 nan 8.210 nan 0.000 0.456 278 L N 0.814 121.679 121.223 -0.595 0.000 2.217 278 L HA -0.154 4.186 4.340 0.001 0.000 0.211 278 L C 2.104 178.854 176.870 -0.199 0.000 1.107 278 L CA 1.280 55.950 54.840 -0.284 0.000 0.783 278 L CB -0.426 41.470 42.059 -0.273 0.000 0.919 278 L HN 0.257 nan 8.230 nan 0.000 0.442 279 D N 0.150 120.389 120.400 -0.267 0.000 2.084 279 D HA -0.127 4.514 4.640 0.001 0.000 0.194 279 D C -0.564 175.696 176.300 -0.067 0.000 0.990 279 D CA 1.271 55.169 54.000 -0.170 0.000 0.826 279 D CB -0.589 40.094 40.800 -0.194 0.000 0.971 279 D HN 0.072 nan 8.370 nan 0.000 0.453 280 P HA -0.076 nan 4.420 nan 0.000 0.215 280 P C 1.416 178.648 177.300 -0.113 0.000 1.157 280 P CA 1.128 64.168 63.100 -0.099 0.000 0.868 280 P CB -0.022 31.624 31.700 -0.090 0.000 0.788 281 I N -2.820 117.701 120.570 -0.081 0.000 2.394 281 I HA -0.217 3.953 4.170 0.001 0.000 0.251 281 I C 2.041 178.051 176.117 -0.178 0.000 1.136 281 I CA 1.240 62.465 61.300 -0.125 0.000 1.425 281 I CB -0.565 37.338 38.000 -0.163 0.000 1.079 281 I HN -0.140 nan 8.210 nan 0.000 0.425 282 F N 1.481 121.289 119.950 -0.238 0.000 2.186 282 F HA -0.114 4.413 4.527 0.001 0.000 0.299 282 F C 2.550 178.315 175.800 -0.060 0.000 1.090 282 F CA 1.266 59.161 58.000 -0.175 0.000 1.307 282 F CB -0.229 38.697 39.000 -0.124 0.000 1.019 282 F HN -0.059 nan 8.300 nan 0.000 0.489 283 R N 0.061 120.622 120.500 0.101 0.000 2.090 283 R HA -0.018 4.322 4.340 0.001 0.000 0.228 283 R C 2.305 178.625 176.300 0.035 0.000 1.110 283 R CA 0.788 56.919 56.100 0.053 0.000 0.973 283 R CB -1.323 28.986 30.300 0.014 0.000 0.869 283 R HN 0.338 nan 8.270 nan 0.000 0.440 284 L N -0.333 120.908 121.223 0.030 0.000 2.083 284 L HA -0.116 4.225 4.340 0.001 0.000 0.209 284 L C 2.292 179.242 176.870 0.133 0.000 1.083 284 L CA 1.431 56.296 54.840 0.041 0.000 0.752 284 L CB -0.408 41.654 42.059 0.006 0.000 0.899 284 L HN 0.063 nan 8.230 nan 0.000 0.433 285 F N -0.521 119.347 119.950 -0.137 0.000 2.206 285 F HA -0.178 4.349 4.527 0.001 0.000 0.298 285 F C 2.597 178.315 175.800 -0.137 0.000 1.090 285 F CA 1.138 59.055 58.000 -0.138 0.000 1.323 285 F CB -0.338 38.552 39.000 -0.183 0.000 1.028 285 F HN 0.024 nan 8.300 nan 0.000 0.492 286 T N -0.212 114.390 114.554 0.081 0.000 2.821 286 T HA -0.122 4.229 4.350 0.001 0.000 0.267 286 T C 2.135 176.819 174.700 -0.026 0.000 1.046 286 T CA 1.055 63.163 62.100 0.014 0.000 1.139 286 T CB -0.454 68.434 68.868 0.033 0.000 0.871 286 T HN 0.285 nan 8.240 nan 0.000 0.454 287 A N 1.509 124.317 122.820 -0.020 0.000 1.832 287 A HA 0.078 4.399 4.320 0.001 0.000 0.214 287 A C 2.293 179.828 177.584 -0.082 0.000 1.204 287 A CA 0.998 53.012 52.037 -0.038 0.000 0.606 287 A CB -0.807 18.177 19.000 -0.026 0.000 0.849 287 A HN 0.455 nan 8.150 nan 0.000 0.445 288 I N -0.517 119.992 120.570 -0.103 0.000 2.208 288 I HA -0.267 3.904 4.170 0.001 0.000 0.245 288 I C 2.414 178.338 176.117 -0.322 0.000 1.097 288 I CA 1.209 62.415 61.300 -0.156 0.000 1.363 288 I CB -0.347 37.558 38.000 -0.158 0.000 1.051 288 I HN 0.257 nan 8.210 nan 0.000 0.413 289 M N 0.078 119.477 119.600 -0.336 0.000 2.460 289 M HA -0.124 4.357 4.480 0.001 0.000 0.263 289 M C 1.272 177.175 176.300 -0.662 0.000 1.071 289 M CA 1.491 56.503 55.300 -0.480 0.000 1.096 289 M CB -1.417 31.018 32.600 -0.275 0.000 1.408 289 M HN 0.221 nan 8.290 nan 0.000 0.463 290 N N -0.776 117.667 118.700 -0.429 0.000 2.280 290 N HA 0.078 4.818 4.740 0.001 0.000 0.192 290 N C -0.418 175.003 175.510 -0.149 0.000 1.109 290 N CA 0.077 52.961 53.050 -0.275 0.000 0.855 290 N CB 0.101 38.531 38.487 -0.094 0.000 0.974 290 N HN 0.079 nan 8.380 nan 0.000 0.482 291 F N -0.595 119.346 119.950 -0.015 0.000 2.988 291 F HA -0.268 4.259 4.527 0.001 0.000 0.287 291 F C -0.087 175.705 175.800 -0.013 0.000 0.781 291 F CA 0.186 58.176 58.000 -0.017 0.000 1.221 291 F CB -2.237 36.754 39.000 -0.014 0.000 1.392 291 F HN -0.007 nan 8.300 nan 0.000 0.425 292 K N 1.282 121.739 120.400 0.095 0.000 2.021 292 K HA 0.044 4.364 4.320 0.001 0.000 0.238 292 K C 1.251 177.883 176.600 0.053 0.000 1.149 292 K CA -0.044 56.280 56.287 0.062 0.000 1.105 292 K CB 0.033 32.549 32.500 0.026 0.000 1.246 292 K HN 0.378 nan 8.250 nan 0.000 0.307 293 K N 0.839 121.279 120.400 0.067 0.000 2.218 293 K HA -0.193 4.128 4.320 0.001 0.000 0.205 293 K C 0.821 177.437 176.600 0.026 0.000 1.046 293 K CA 1.243 57.559 56.287 0.047 0.000 0.933 293 K CB 0.090 32.615 32.500 0.041 0.000 0.728 293 K HN 0.437 nan 8.250 nan 0.000 0.454 294 D N 0.776 121.189 120.400 0.022 0.000 2.194 294 D HA -0.091 4.550 4.640 0.001 0.000 0.204 294 D C 1.627 177.931 176.300 0.007 0.000 0.964 294 D CA 1.033 55.041 54.000 0.013 0.000 0.846 294 D CB 0.160 40.967 40.800 0.012 0.000 0.962 294 D HN 0.386 nan 8.370 nan 0.000 0.490 295 E N 0.673 120.877 120.200 0.007 0.000 2.057 295 E HA 0.013 4.364 4.350 0.001 0.000 0.190 295 E C 2.440 179.035 176.600 -0.008 0.000 0.969 295 E CA -0.008 56.391 56.400 -0.001 0.000 0.812 295 E CB 0.138 29.837 29.700 -0.002 0.000 0.777 295 E HN 0.155 nan 8.360 nan 0.000 0.455 296 I N 2.411 122.977 120.570 -0.006 0.000 2.141 296 I HA -0.326 3.845 4.170 0.001 0.000 0.243 296 I C -0.437 175.670 176.117 -0.017 0.000 1.035 296 I CA 1.734 63.026 61.300 -0.013 0.000 1.302 296 I CB -1.789 36.211 38.000 -0.000 0.000 1.006 296 I HN 0.192 nan 8.210 nan 0.000 0.413 297 P HA -0.107 nan 4.420 nan 0.000 0.214 297 P C 1.962 179.254 177.300 -0.014 0.000 1.162 297 P CA 1.689 64.784 63.100 -0.009 0.000 0.879 297 P CB -0.158 31.541 31.700 -0.002 0.000 0.786 298 V N 0.562 120.468 119.914 -0.012 0.000 2.287 298 V HA -0.225 3.895 4.120 0.001 0.000 0.248 298 V C 2.799 178.879 176.094 -0.023 0.000 1.053 298 V CA 1.842 64.134 62.300 -0.013 0.000 1.027 298 V CB -1.579 30.238 31.823 -0.009 0.000 0.646 298 V HN 0.018 nan 8.190 nan 0.000 0.447 299 L N -0.760 120.445 121.223 -0.030 0.000 2.131 299 L HA -0.108 4.232 4.340 0.001 0.000 0.210 299 L C 2.118 178.946 176.870 -0.071 0.000 1.092 299 L CA 1.729 56.539 54.840 -0.049 0.000 0.759 299 L CB -0.561 41.467 42.059 -0.052 0.000 0.903 299 L HN 0.192 nan 8.230 nan 0.000 0.435 300 L N -0.287 120.901 121.223 -0.058 0.000 2.027 300 L HA -0.172 4.168 4.340 0.001 0.000 0.206 300 L C 2.604 179.446 176.870 -0.045 0.000 1.074 300 L CA 1.965 56.768 54.840 -0.062 0.000 0.745 300 L CB -0.760 41.275 42.059 -0.039 0.000 0.898 300 L HN 0.481 nan 8.230 nan 0.000 0.433 301 E N -0.606 119.578 120.200 -0.027 0.000 2.153 301 E HA -0.256 4.094 4.350 0.001 0.000 0.194 301 E C 2.054 178.644 176.600 -0.017 0.000 0.988 301 E CA 1.037 57.428 56.400 -0.016 0.000 0.811 301 E CB 0.103 29.797 29.700 -0.009 0.000 0.746 301 E HN 0.420 nan 8.360 nan 0.000 0.466 302 K N 0.321 120.706 120.400 -0.026 0.000 1.980 302 K HA -0.196 4.125 4.320 0.001 0.000 0.223 302 K C 2.293 178.882 176.600 -0.018 0.000 1.052 302 K CA 2.113 58.387 56.287 -0.022 0.000 0.974 302 K CB -0.428 32.055 32.500 -0.029 0.000 0.734 302 K HN 0.207 nan 8.250 nan 0.000 0.447 303 L N 0.567 121.766 121.223 -0.040 0.000 2.187 303 L HA -0.135 4.206 4.340 0.001 0.000 0.213 303 L C -0.041 176.848 176.870 0.033 0.000 1.100 303 L CA 0.972 55.807 54.840 -0.008 0.000 0.765 303 L CB -0.681 41.303 42.059 -0.124 0.000 0.904 303 L HN 0.401 nan 8.230 nan 0.000 0.437 304 E N 0.244 120.448 120.200 0.007 0.000 2.300 304 E HA -0.108 4.243 4.350 0.001 0.000 0.238 304 E C -0.800 175.825 176.600 0.042 0.000 1.186 304 E CA -0.131 56.282 56.400 0.022 0.000 0.717 304 E CB -1.056 28.661 29.700 0.028 0.000 1.212 304 E HN 0.171 nan 8.360 nan 0.000 0.415 305 I N 2.082 122.665 120.570 0.022 0.000 2.395 305 I HA 0.116 4.286 4.170 0.001 0.000 0.282 305 I C 0.798 176.931 176.117 0.026 0.000 1.107 305 I CA -0.718 60.605 61.300 0.039 0.000 1.210 305 I CB 0.462 38.471 38.000 0.016 0.000 1.456 305 I HN 0.143 nan 8.210 nan 0.000 0.504 306 V N 4.912 124.844 119.914 0.031 0.000 2.403 306 V HA 0.279 4.399 4.120 0.001 0.000 0.265 306 V C 0.502 176.611 176.094 0.025 0.000 1.034 306 V CA -0.501 61.813 62.300 0.023 0.000 1.036 306 V CB -0.104 31.732 31.823 0.022 0.000 1.032 306 V HN 0.371 nan 8.190 nan 0.000 0.478 307 L N 4.923 126.158 121.223 0.019 0.000 2.439 307 L HA 0.335 4.675 4.340 0.001 0.000 0.269 307 L C 1.207 178.088 176.870 0.018 0.000 1.179 307 L CA -0.290 54.562 54.840 0.019 0.000 0.828 307 L CB 0.470 42.537 42.059 0.014 0.000 1.106 307 L HN 0.555 nan 8.230 nan 0.000 0.467 308 K N 2.632 123.043 120.400 0.019 0.000 3.100 308 K HA 0.156 4.477 4.320 0.001 0.000 0.256 308 K C 1.007 177.614 176.600 0.013 0.000 1.146 308 K CA 0.592 56.889 56.287 0.017 0.000 1.233 308 K CB -0.151 32.361 32.500 0.019 0.000 1.226 308 K HN 0.948 nan 8.250 nan 0.000 0.442 309 G N 1.922 110.728 108.800 0.011 0.000 5.059 309 G HA2 -0.486 3.474 3.960 0.001 0.000 0.336 309 G HA3 -0.486 3.474 3.960 0.001 0.000 0.336 309 G C 1.105 176.009 174.900 0.007 0.000 1.364 309 G CA 0.685 45.790 45.100 0.008 0.000 1.020 309 G HN 0.464 nan 8.290 nan 0.000 0.807 310 D N 1.691 122.095 120.400 0.007 0.000 2.190 310 D HA -0.057 4.584 4.640 0.001 0.000 0.200 310 D C 2.345 178.649 176.300 0.007 0.000 0.992 310 D CA 1.905 55.908 54.000 0.006 0.000 0.854 310 D CB -0.400 40.404 40.800 0.007 0.000 0.936 310 D HN 0.751 nan 8.370 nan 0.000 0.462 311 E N -0.405 119.801 120.200 0.010 0.000 2.347 311 E HA -0.095 4.256 4.350 0.001 0.000 0.196 311 E C 2.016 178.621 176.600 0.009 0.000 1.008 311 E CA 0.333 56.740 56.400 0.011 0.000 0.852 311 E CB 0.163 29.873 29.700 0.015 0.000 0.783 311 E HN 0.263 nan 8.360 nan 0.000 0.505 312 K N 1.437 121.842 120.400 0.009 0.000 2.025 312 K HA -0.165 4.156 4.320 0.001 0.000 0.207 312 K C 1.800 178.405 176.600 0.009 0.000 1.049 312 K CA 1.742 58.034 56.287 0.008 0.000 0.933 312 K CB -0.383 32.120 32.500 0.006 0.000 0.714 312 K HN 0.263 nan 8.250 nan 0.000 0.438 313 D N 0.640 121.044 120.400 0.006 0.000 2.350 313 D HA -0.103 4.538 4.640 0.001 0.000 0.216 313 D C 0.622 176.927 176.300 0.008 0.000 0.968 313 D CA 0.292 54.294 54.000 0.004 0.000 0.894 313 D CB -0.287 40.512 40.800 -0.001 0.000 0.909 313 D HN 0.032 nan 8.370 nan 0.000 0.520 314 L N 0.837 122.067 121.223 0.012 0.000 2.490 314 L HA 0.214 4.555 4.340 0.001 0.000 0.274 314 L C 0.543 177.438 176.870 0.040 0.000 1.201 314 L CA 0.519 55.369 54.840 0.018 0.000 0.869 314 L CB 0.395 42.460 42.059 0.010 0.000 1.123 314 L HN 0.148 nan 8.230 nan 0.000 0.484 315 E N 0.992 121.233 120.200 0.069 0.000 2.416 315 E HA 0.630 4.981 4.350 0.001 0.000 0.273 315 E C 0.068 176.797 176.600 0.216 0.000 0.935 315 E CA -0.392 56.112 56.400 0.173 0.000 0.784 315 E CB 2.107 31.921 29.700 0.189 0.000 1.301 315 E HN 0.722 nan 8.360 nan 0.000 0.454 316 G N 1.281 110.270 108.800 0.315 0.000 2.601 316 G HA2 -0.362 3.599 3.960 0.001 0.000 0.252 316 G HA3 -0.362 3.599 3.960 0.001 0.000 0.252 316 G C 0.524 175.394 174.900 -0.051 0.000 1.294 316 G CA 0.350 45.523 45.100 0.121 0.000 0.912 316 G HN 0.572 nan 8.290 nan 0.000 0.574 317 K N 0.192 120.547 120.400 -0.075 0.000 2.160 317 K HA -0.071 4.250 4.320 0.001 0.000 0.206 317 K C 3.058 179.570 176.600 -0.147 0.000 1.047 317 K CA 1.953 58.146 56.287 -0.156 0.000 0.930 317 K CB -0.394 32.031 32.500 -0.125 0.000 0.720 317 K HN 0.775 nan 8.250 nan 0.000 0.450 318 A N 1.422 124.203 122.820 -0.065 0.000 1.908 318 A HA -0.184 4.136 4.320 0.001 0.000 0.218 318 A C 2.098 179.653 177.584 -0.048 0.000 1.181 318 A CA 1.366 53.376 52.037 -0.045 0.000 0.627 318 A CB -0.438 18.557 19.000 -0.007 0.000 0.818 318 A HN 0.259 nan 8.150 nan 0.000 0.445 319 L N -1.077 120.120 121.223 -0.042 0.000 2.068 319 L HA 0.014 4.354 4.340 0.001 0.000 0.204 319 L C 2.183 179.005 176.870 -0.080 0.000 1.076 319 L CA 1.852 56.668 54.840 -0.040 0.000 0.753 319 L CB -0.660 41.390 42.059 -0.014 0.000 0.910 319 L HN 0.301 nan 8.230 nan 0.000 0.439 320 L N -0.081 121.050 121.223 -0.154 0.000 2.127 320 L HA -0.212 4.129 4.340 0.001 0.000 0.211 320 L C 2.361 179.135 176.870 -0.161 0.000 1.089 320 L CA 1.818 56.520 54.840 -0.230 0.000 0.757 320 L CB -0.785 41.012 42.059 -0.437 0.000 0.899 320 L HN 0.287 nan 8.230 nan 0.000 0.434 321 K N -1.497 118.802 120.400 -0.169 0.000 2.211 321 K HA -0.050 4.270 4.320 0.001 0.000 0.203 321 K C 1.833 178.454 176.600 0.034 0.000 1.050 321 K CA 1.183 57.422 56.287 -0.080 0.000 0.945 321 K CB -0.016 32.400 32.500 -0.139 0.000 0.732 321 K HN 0.280 nan 8.250 nan 0.000 0.451 322 V N 0.346 120.266 119.914 0.009 0.000 2.725 322 V HA -0.125 3.995 4.120 0.001 0.000 0.247 322 V C 2.059 178.191 176.094 0.063 0.000 1.058 322 V CA 0.942 63.266 62.300 0.040 0.000 1.080 322 V CB 0.207 32.041 31.823 0.020 0.000 0.713 322 V HN 0.017 nan 8.190 nan 0.000 0.465 323 V N -0.519 119.421 119.914 0.043 0.000 2.323 323 V HA -0.208 3.913 4.120 0.001 0.000 0.244 323 V C 2.464 178.647 176.094 0.149 0.000 1.041 323 V CA 1.578 63.914 62.300 0.059 0.000 1.025 323 V CB -0.565 31.256 31.823 -0.004 0.000 0.656 323 V HN 0.388 nan 8.190 nan 0.000 0.451 324 M N -0.493 119.206 119.600 0.164 0.000 2.374 324 M HA -0.057 4.424 4.480 0.001 0.000 0.264 324 M C 2.233 178.732 176.300 0.331 0.000 1.067 324 M CA 1.370 56.830 55.300 0.266 0.000 1.103 324 M CB -1.156 31.572 32.600 0.213 0.000 1.402 324 M HN 0.310 nan 8.290 nan 0.000 0.444 325 R N 0.169 120.823 120.500 0.257 0.000 2.075 325 R HA -0.085 4.256 4.340 0.001 0.000 0.232 325 R C 2.167 178.574 176.300 0.178 0.000 1.126 325 R CA 1.123 57.354 56.100 0.219 0.000 0.963 325 R CB -0.041 30.353 30.300 0.157 0.000 0.858 325 R HN 0.378 nan 8.270 nan 0.000 0.435 326 K N -0.502 119.999 120.400 0.168 0.000 2.186 326 K HA -0.060 4.261 4.320 0.001 0.000 0.202 326 K C 1.798 178.514 176.600 0.193 0.000 1.052 326 K CA 0.724 57.099 56.287 0.146 0.000 0.965 326 K CB -0.091 32.481 32.500 0.119 0.000 0.746 326 K HN 0.029 nan 8.250 nan 0.000 0.457 327 F N 1.399 121.391 119.950 0.071 0.000 2.060 327 F HA 0.009 4.536 4.527 0.001 0.000 0.295 327 F C 0.482 176.329 175.800 0.078 0.000 1.120 327 F CA 1.142 59.180 58.000 0.064 0.000 1.205 327 F CB 0.134 39.170 39.000 0.059 0.000 0.986 327 F HN -0.209 nan 8.300 nan 0.000 0.470 328 L N 1.678 122.855 121.223 -0.077 0.000 2.462 328 L HA 0.338 4.678 4.340 0.001 0.000 0.255 328 L C -2.561 174.393 176.870 0.140 0.000 1.076 328 L CA -1.926 52.841 54.840 -0.121 0.000 0.920 328 L CB 1.347 43.347 42.059 -0.098 0.000 1.214 328 L HN -0.149 nan 8.230 nan 0.000 0.472 329 P HA 0.044 nan 4.420 nan 0.000 0.263 329 P C 0.777 178.131 177.300 0.089 0.000 1.247 329 P CA 0.155 63.313 63.100 0.098 0.000 0.876 329 P CB 1.272 33.002 31.700 0.051 0.000 0.928 330 A N 5.653 128.545 122.820 0.121 0.000 1.869 330 A HA -0.291 4.029 4.320 0.001 0.000 0.218 330 A C 2.225 179.818 177.584 0.014 0.000 1.203 330 A CA 2.498 54.569 52.037 0.058 0.000 0.638 330 A CB -1.640 17.376 19.000 0.027 0.000 0.831 330 A HN 0.457 nan 8.150 nan 0.000 0.450 331 A N -0.271 122.561 122.820 0.021 0.000 1.971 331 A HA -0.307 4.013 4.320 0.001 0.000 0.222 331 A C 1.672 179.255 177.584 -0.002 0.000 1.182 331 A CA 2.470 54.512 52.037 0.008 0.000 0.649 331 A CB -0.906 18.107 19.000 0.022 0.000 0.818 331 A HN 0.638 nan 8.150 nan 0.000 0.458 332 D N -0.589 119.812 120.400 0.002 0.000 2.137 332 D HA 0.179 4.820 4.640 0.001 0.000 0.202 332 D C 2.226 178.513 176.300 -0.023 0.000 0.970 332 D CA 1.137 55.130 54.000 -0.011 0.000 0.837 332 D CB -0.230 40.564 40.800 -0.011 0.000 0.981 332 D HN 0.439 nan 8.370 nan 0.000 0.475 333 A N 0.479 123.289 122.820 -0.016 0.000 1.978 333 A HA -0.135 4.186 4.320 0.001 0.000 0.220 333 A C 2.060 179.616 177.584 -0.047 0.000 1.170 333 A CA 1.002 53.027 52.037 -0.020 0.000 0.636 333 A CB -0.677 18.323 19.000 -0.000 0.000 0.810 333 A HN 0.206 nan 8.150 nan 0.000 0.448 334 L N -1.114 120.076 121.223 -0.054 0.000 2.131 334 L HA -0.043 4.297 4.340 0.001 0.000 0.206 334 L C 2.245 179.081 176.870 -0.056 0.000 1.087 334 L CA 0.690 55.490 54.840 -0.066 0.000 0.767 334 L CB -0.440 41.582 42.059 -0.062 0.000 0.917 334 L HN 0.329 nan 8.230 nan 0.000 0.441 335 L N -0.454 120.741 121.223 -0.047 0.000 2.376 335 L HA -0.108 4.233 4.340 0.001 0.000 0.219 335 L C 2.458 179.279 176.870 -0.082 0.000 1.133 335 L CA 0.550 55.357 54.840 -0.055 0.000 0.816 335 L CB -0.331 41.705 42.059 -0.040 0.000 0.933 335 L HN 0.339 nan 8.230 nan 0.000 0.449 336 E N 0.913 121.071 120.200 -0.069 0.000 2.005 336 E HA -0.203 4.148 4.350 0.001 0.000 0.191 336 E C 2.312 178.850 176.600 -0.104 0.000 0.987 336 E CA 1.139 57.490 56.400 -0.082 0.000 0.814 336 E CB -0.021 29.653 29.700 -0.043 0.000 0.772 336 E HN 0.356 nan 8.360 nan 0.000 0.453 337 M N 0.782 120.373 119.600 -0.016 0.000 2.073 337 M HA -0.238 4.243 4.480 0.001 0.000 0.258 337 M C 2.387 178.697 176.300 0.017 0.000 1.070 337 M CA 1.309 56.700 55.300 0.152 0.000 1.103 337 M CB -0.571 32.107 32.600 0.129 0.000 1.321 337 M HN 0.223 nan 8.290 nan 0.000 0.405 338 I N 0.295 120.836 120.570 -0.048 0.000 2.093 338 I HA -0.315 3.856 4.170 0.001 0.000 0.239 338 I C 2.483 178.498 176.117 -0.170 0.000 1.026 338 I CA 1.841 63.090 61.300 -0.085 0.000 1.295 338 I CB -1.589 36.358 38.000 -0.087 0.000 1.007 338 I HN 0.179 nan 8.210 nan 0.000 0.401 339 V N 0.934 120.684 119.914 -0.273 0.000 2.237 339 V HA -0.245 3.876 4.120 0.001 0.000 0.245 339 V C 2.624 178.426 176.094 -0.487 0.000 1.046 339 V CA 1.634 63.638 62.300 -0.494 0.000 1.007 339 V CB -0.682 30.752 31.823 -0.650 0.000 0.638 339 V HN 0.345 nan 8.190 nan 0.000 0.445 340 L N -0.860 120.080 121.223 -0.472 0.000 2.131 340 L HA -0.147 4.193 4.340 0.001 0.000 0.210 340 L C 2.473 178.969 176.870 -0.623 0.000 1.092 340 L CA 1.398 55.896 54.840 -0.571 0.000 0.759 340 L CB -0.724 40.913 42.059 -0.704 0.000 0.903 340 L HN 0.501 nan 8.230 nan 0.000 0.435 341 H N -0.921 118.075 119.070 -0.125 0.000 2.329 341 H HA 0.260 4.817 4.556 0.001 0.000 0.285 341 H C 0.983 176.259 175.328 -0.087 0.000 1.062 341 H CA -0.550 55.442 56.048 -0.093 0.000 1.511 341 H CB -0.378 29.329 29.762 -0.092 0.000 1.471 341 H HN 0.015 nan 8.280 nan 0.000 0.613 342 L N 4.558 125.803 121.223 0.037 0.000 2.640 342 L HA -0.069 4.272 4.340 0.001 0.000 0.300 342 L C -1.903 174.956 176.870 -0.019 0.000 1.259 342 L CA -0.634 54.203 54.840 -0.004 0.000 0.879 342 L CB -0.197 41.844 42.059 -0.029 0.000 1.125 342 L HN 0.131 nan 8.230 nan 0.000 0.507 343 P HA 0.161 nan 4.420 nan 0.000 0.279 343 P C -0.919 176.389 177.300 0.013 0.000 1.252 343 P CA -0.591 62.524 63.100 0.025 0.000 0.811 343 P CB 1.587 33.333 31.700 0.076 0.000 1.035 344 S N 0.594 116.305 115.700 0.018 0.000 2.687 344 S HA 0.454 4.925 4.470 0.001 0.000 0.283 344 S C -2.220 172.380 174.600 0.000 0.000 1.170 344 S CA -1.639 56.570 58.200 0.015 0.000 1.008 344 S CB 0.409 63.630 63.200 0.034 0.000 1.026 344 S HN 0.207 nan 8.310 nan 0.000 0.541 345 P HA 0.187 nan 4.420 nan 0.000 0.271 345 P C 0.191 177.470 177.300 -0.035 0.000 1.535 345 P CA 0.184 63.259 63.100 -0.042 0.000 0.820 345 P CB -0.077 31.578 31.700 -0.074 0.000 1.606 346 V N -2.577 117.325 119.914 -0.020 0.000 3.250 346 V HA -0.057 4.064 4.120 0.001 0.000 0.240 346 V C 2.016 178.100 176.094 -0.016 0.000 1.275 346 V CA 1.224 63.516 62.300 -0.014 0.000 1.206 346 V CB -0.636 31.189 31.823 0.003 0.000 0.976 346 V HN 0.092 nan 8.190 nan 0.000 0.467 347 T N 1.160 115.716 114.554 0.004 0.000 2.770 347 T HA -0.024 4.327 4.350 0.001 0.000 0.263 347 T C 2.038 176.717 174.700 -0.036 0.000 1.039 347 T CA 1.591 63.723 62.100 0.054 0.000 1.142 347 T CB -0.315 68.617 68.868 0.108 0.000 0.868 347 T HN 0.457 nan 8.240 nan 0.000 0.435 348 A N 1.615 124.331 122.820 -0.173 0.000 1.929 348 A HA -0.071 4.250 4.320 0.001 0.000 0.216 348 A C 2.271 179.394 177.584 -0.769 0.000 1.176 348 A CA 0.957 52.602 52.037 -0.653 0.000 0.628 348 A CB -0.571 18.290 19.000 -0.231 0.000 0.816 348 A HN 0.509 nan 8.150 nan 0.000 0.444 349 Q N -0.603 119.010 119.800 -0.312 0.000 2.364 349 Q HA -0.009 4.331 4.340 0.001 0.000 0.207 349 Q C 2.184 178.071 176.000 -0.187 0.000 0.970 349 Q CA 0.831 56.531 55.803 -0.172 0.000 0.888 349 Q CB -0.265 28.472 28.738 -0.000 0.000 0.951 349 Q HN 0.703 nan 8.270 nan 0.000 0.469 350 A N 0.867 123.562 122.820 -0.208 0.000 1.930 350 A HA -0.147 4.174 4.320 0.001 0.000 0.215 350 A C 1.554 179.117 177.584 -0.036 0.000 1.176 350 A CA 0.984 52.974 52.037 -0.078 0.000 0.632 350 A CB -0.399 18.607 19.000 0.010 0.000 0.819 350 A HN 0.567 nan 8.150 nan 0.000 0.445 351 Y N -3.225 117.078 120.300 0.005 0.000 2.507 351 Y HA 0.599 5.149 4.550 0.001 0.000 0.254 351 Y C 1.546 177.441 175.900 -0.008 0.000 1.171 351 Y CA -0.214 57.885 58.100 -0.002 0.000 1.238 351 Y CB -0.093 38.367 38.460 -0.001 0.000 1.148 351 Y HN 0.107 nan 8.280 nan 0.000 0.525 352 R N -0.174 120.182 120.500 -0.240 0.000 2.394 352 R HA 0.395 4.735 4.340 0.001 0.000 0.220 352 R C 2.146 178.366 176.300 -0.133 0.000 0.887 352 R CA 0.760 56.776 56.100 -0.141 0.000 1.034 352 R CB 0.182 30.340 30.300 -0.237 0.000 1.179 352 R HN 0.349 nan 8.270 nan 0.000 0.561 353 A N 1.671 124.409 122.820 -0.137 0.000 1.849 353 A HA -0.255 4.065 4.320 0.001 0.000 0.217 353 A C 1.710 179.249 177.584 -0.074 0.000 1.202 353 A CA 1.855 53.810 52.037 -0.135 0.000 0.629 353 A CB -0.583 18.355 19.000 -0.104 0.000 0.834 353 A HN 0.399 nan 8.150 nan 0.000 0.447 354 E N -0.946 119.238 120.200 -0.028 0.000 2.114 354 E HA -0.303 4.047 4.350 0.001 0.000 0.199 354 E C 2.228 178.834 176.600 0.009 0.000 1.008 354 E CA 1.536 57.944 56.400 0.014 0.000 0.810 354 E CB -0.212 29.498 29.700 0.017 0.000 0.739 354 E HN 0.789 nan 8.360 nan 0.000 0.456 355 Q N 0.166 119.958 119.800 -0.014 0.000 2.369 355 Q HA -0.083 4.257 4.340 0.001 0.000 0.206 355 Q C 1.705 177.670 176.000 -0.059 0.000 0.963 355 Q CA 0.641 56.430 55.803 -0.023 0.000 0.894 355 Q CB 0.240 28.972 28.738 -0.010 0.000 0.965 355 Q HN 0.324 nan 8.270 nan 0.000 0.475 356 L N -0.662 120.500 121.223 -0.102 0.000 2.664 356 L HA 0.181 4.521 4.340 0.001 0.000 0.233 356 L C -0.210 176.619 176.870 -0.069 0.000 1.113 356 L CA -0.251 54.485 54.840 -0.175 0.000 0.896 356 L CB 0.473 42.281 42.059 -0.419 0.000 1.163 356 L HN 0.116 nan 8.230 nan 0.000 0.497 357 Y N 1.102 121.317 120.300 -0.142 0.000 2.328 357 Y HA 0.229 4.780 4.550 0.001 0.000 0.337 357 Y C 0.696 176.555 175.900 -0.067 0.000 0.966 357 Y CA -0.914 57.132 58.100 -0.089 0.000 1.136 357 Y CB 0.974 39.380 38.460 -0.090 0.000 1.170 357 Y HN 0.036 nan 8.280 nan 0.000 0.470 358 E N 4.028 123.951 120.200 -0.463 0.000 2.311 358 E HA 0.218 4.569 4.350 0.001 0.000 0.198 358 E C 0.355 176.609 176.600 -0.577 0.000 1.115 358 E CA -0.090 56.096 56.400 -0.357 0.000 1.140 358 E CB 0.280 29.867 29.700 -0.188 0.000 1.204 358 E HN 0.834 nan 8.360 nan 0.000 0.446 359 G N 1.410 109.678 108.800 -0.886 0.000 3.209 359 G HA2 0.390 4.350 3.960 0.001 0.000 0.236 359 G HA3 0.390 4.350 3.960 0.001 0.000 0.236 359 G C -2.736 172.046 174.900 -0.197 0.000 1.329 359 G CA -1.359 43.197 45.100 -0.906 0.000 1.015 359 G HN -0.123 nan 8.290 nan 0.000 0.571 360 P HA 0.269 nan 4.420 nan 0.000 0.266 360 P C 0.533 177.883 177.300 0.085 0.000 1.215 360 P CA 0.225 63.337 63.100 0.020 0.000 0.763 360 P CB 1.276 32.991 31.700 0.026 0.000 0.806 361 A N 3.421 126.268 122.820 0.046 0.000 2.272 361 A HA -0.159 4.161 4.320 0.001 0.000 0.213 361 A C 0.951 178.535 177.584 0.001 0.000 1.183 361 A CA 1.659 53.716 52.037 0.033 0.000 0.719 361 A CB -0.893 18.118 19.000 0.018 0.000 0.771 361 A HN 0.632 nan 8.150 nan 0.000 0.484 362 D N -1.999 118.401 120.400 0.001 0.000 2.500 362 D HA 0.156 4.797 4.640 0.001 0.000 0.217 362 D C 0.183 176.471 176.300 -0.019 0.000 1.159 362 D CA -0.186 53.806 54.000 -0.012 0.000 0.828 362 D CB -0.360 40.438 40.800 -0.003 0.000 1.039 362 D HN 0.264 nan 8.370 nan 0.000 0.512 363 D N 0.453 120.847 120.400 -0.010 0.000 2.506 363 D HA 0.177 4.818 4.640 0.001 0.000 0.234 363 D C 1.676 177.936 176.300 -0.067 0.000 1.143 363 D CA 0.596 54.595 54.000 -0.003 0.000 0.871 363 D CB 1.101 41.950 40.800 0.081 0.000 1.190 363 D HN 0.101 nan 8.370 nan 0.000 0.459 364 A N 3.730 126.532 122.820 -0.030 0.000 2.009 364 A HA -0.335 3.986 4.320 0.001 0.000 0.222 364 A C 1.835 179.364 177.584 -0.091 0.000 1.175 364 A CA 2.254 54.266 52.037 -0.041 0.000 0.651 364 A CB -0.652 18.344 19.000 -0.008 0.000 0.815 364 A HN 0.764 nan 8.150 nan 0.000 0.459 365 N N -1.373 117.232 118.700 -0.159 0.000 2.220 365 N HA -0.067 4.674 4.740 0.001 0.000 0.182 365 N C 1.621 176.875 175.510 -0.428 0.000 1.023 365 N CA 1.127 54.019 53.050 -0.263 0.000 0.856 365 N CB -0.763 37.563 38.487 -0.268 0.000 0.997 365 N HN 0.521 nan 8.380 nan 0.000 0.429 366 C N 0.764 119.668 119.300 -0.660 0.000 2.403 366 C HA -0.015 4.445 4.460 0.001 0.000 0.279 366 C C 2.324 177.169 174.990 -0.241 0.000 1.269 366 C CA 0.581 59.276 59.018 -0.538 0.000 1.774 366 C CB -1.292 26.233 27.740 -0.359 0.000 1.993 366 C HN 0.367 nan 8.230 nan 0.000 0.496 367 I N 1.211 121.675 120.570 -0.176 0.000 2.133 367 I HA -0.108 4.062 4.170 0.001 0.000 0.238 367 I C 2.901 178.968 176.117 -0.084 0.000 1.074 367 I CA 1.538 62.780 61.300 -0.098 0.000 1.342 367 I CB -0.842 37.117 38.000 -0.069 0.000 1.053 367 I HN 0.317 nan 8.210 nan 0.000 0.404 368 A N 1.204 123.970 122.820 -0.090 0.000 2.042 368 A HA -0.200 4.120 4.320 0.001 0.000 0.222 368 A C 2.220 179.779 177.584 -0.042 0.000 1.167 368 A CA 1.534 53.536 52.037 -0.057 0.000 0.649 368 A CB -0.690 18.278 19.000 -0.054 0.000 0.809 368 A HN 0.376 nan 8.150 nan 0.000 0.457 369 I N -0.632 119.894 120.570 -0.074 0.000 2.162 369 I HA -0.170 4.001 4.170 0.001 0.000 0.238 369 I C 2.296 178.402 176.117 -0.018 0.000 1.076 369 I CA 1.564 62.845 61.300 -0.030 0.000 1.353 369 I CB -1.381 36.555 38.000 -0.106 0.000 1.063 369 I HN 0.326 nan 8.210 nan 0.000 0.408 370 K N 0.950 121.319 120.400 -0.051 0.000 2.044 370 K HA -0.162 4.159 4.320 0.001 0.000 0.210 370 K C 1.502 178.087 176.600 -0.025 0.000 1.049 370 K CA 1.452 57.714 56.287 -0.042 0.000 0.927 370 K CB -0.128 32.349 32.500 -0.038 0.000 0.713 370 K HN 0.315 nan 8.250 nan 0.000 0.443 371 N N 0.497 119.184 118.700 -0.022 0.000 2.449 371 N HA -0.064 4.677 4.740 0.001 0.000 0.191 371 N C 0.086 175.591 175.510 -0.008 0.000 1.161 371 N CA 0.383 53.425 53.050 -0.014 0.000 0.863 371 N CB -0.310 38.168 38.487 -0.016 0.000 0.980 371 N HN 0.199 nan 8.380 nan 0.000 0.458 372 C N 2.497 121.797 119.300 -0.001 0.000 3.603 372 C HA -0.246 4.215 4.460 0.001 0.000 0.279 372 C C 0.204 175.193 174.990 -0.003 0.000 1.436 372 C CA -0.323 58.699 59.018 0.007 0.000 2.054 372 C CB -2.526 25.213 27.740 -0.001 0.000 1.341 372 C HN 0.398 nan 8.230 nan 0.000 0.608 373 D N 1.877 122.275 120.400 -0.004 0.000 2.325 373 D HA 0.293 4.933 4.640 0.001 0.000 0.251 373 D C -0.617 175.679 176.300 -0.007 0.000 1.196 373 D CA -2.030 51.966 54.000 -0.008 0.000 0.866 373 D CB 0.943 41.737 40.800 -0.011 0.000 1.101 373 D HN 0.404 nan 8.370 nan 0.000 0.476 374 P HA 0.017 nan 4.420 nan 0.000 0.255 374 P C 0.276 177.571 177.300 -0.010 0.000 1.301 374 P CA 0.157 63.250 63.100 -0.012 0.000 0.817 374 P CB 0.418 32.108 31.700 -0.017 0.000 1.259 375 K N -0.730 119.665 120.400 -0.008 0.000 2.365 375 K HA 0.252 4.573 4.320 0.001 0.000 0.195 375 K C 1.371 177.968 176.600 -0.005 0.000 1.079 375 K CA 0.116 56.398 56.287 -0.007 0.000 0.979 375 K CB 0.181 32.676 32.500 -0.008 0.000 0.929 375 K HN 0.069 nan 8.250 nan 0.000 0.523 376 A N 2.019 124.836 122.820 -0.005 0.000 2.292 376 A HA 0.089 4.409 4.320 0.001 0.000 0.265 376 A C -0.125 177.460 177.584 0.001 0.000 1.133 376 A CA -0.200 51.834 52.037 -0.005 0.000 0.807 376 A CB -0.005 18.988 19.000 -0.011 0.000 1.102 376 A HN 0.120 nan 8.150 nan 0.000 0.502 377 D N -0.162 120.241 120.400 0.005 0.000 2.472 377 D HA 0.175 4.815 4.640 0.001 0.000 0.237 377 D C 0.229 176.542 176.300 0.023 0.000 1.141 377 D CA 0.131 54.139 54.000 0.014 0.000 0.875 377 D CB 0.413 41.226 40.800 0.021 0.000 1.192 377 D HN 0.359 nan 8.370 nan 0.000 0.450 378 L N 2.511 123.749 121.223 0.025 0.000 2.529 378 L HA -0.019 4.322 4.340 0.001 0.000 0.287 378 L C -0.080 176.830 176.870 0.067 0.000 1.241 378 L CA 0.822 55.684 54.840 0.037 0.000 0.857 378 L CB 0.113 42.187 42.059 0.025 0.000 1.113 378 L HN 0.304 nan 8.230 nan 0.000 0.504 379 M N 7.132 126.788 119.600 0.095 0.000 2.302 379 M HA 0.265 4.746 4.480 0.001 0.000 0.207 379 M C -1.298 175.128 176.300 0.211 0.000 1.016 379 M CA -0.091 55.304 55.300 0.159 0.000 0.941 379 M CB 0.738 33.434 32.600 0.158 0.000 2.701 379 M HN 0.523 nan 8.290 nan 0.000 0.377 380 L N 1.986 123.314 121.223 0.173 0.000 2.296 380 L HA 0.559 4.899 4.340 0.001 0.000 0.286 380 L C -1.429 175.582 176.870 0.236 0.000 1.023 380 L CA -0.730 54.210 54.840 0.166 0.000 0.812 380 L CB 1.692 43.790 42.059 0.064 0.000 1.223 380 L HN 0.580 nan 8.230 nan 0.000 0.421 381 Y N 4.727 125.144 120.300 0.195 0.000 2.326 381 Y HA 0.451 5.001 4.550 0.001 0.000 0.337 381 Y C -0.614 175.352 175.900 0.111 0.000 1.023 381 Y CA -0.477 57.749 58.100 0.211 0.000 1.143 381 Y CB 1.412 40.111 38.460 0.398 0.000 1.183 381 Y HN 0.284 nan 8.280 nan 0.000 0.485 382 V N 7.089 126.829 119.914 -0.290 0.000 2.334 382 V HA 0.073 4.194 4.120 0.001 0.000 0.267 382 V C 0.689 176.671 176.094 -0.187 0.000 1.040 382 V CA 0.470 62.682 62.300 -0.145 0.000 0.866 382 V CB 0.635 32.405 31.823 -0.090 0.000 1.019 382 V HN 1.005 nan 8.190 nan 0.000 0.468 383 S N 4.191 119.996 115.700 0.175 0.000 2.425 383 S HA 0.078 4.549 4.470 0.001 0.000 0.225 383 S C 0.563 175.337 174.600 0.291 0.000 1.024 383 S CA 0.329 58.759 58.200 0.384 0.000 0.951 383 S CB 0.009 63.526 63.200 0.528 0.000 0.796 383 S HN 0.852 nan 8.310 nan 0.000 0.498 384 K N -0.660 119.897 120.400 0.263 0.000 2.597 384 K HA 0.494 4.814 4.320 0.001 0.000 0.282 384 K C -1.510 175.188 176.600 0.163 0.000 0.975 384 K CA -0.946 55.432 56.287 0.151 0.000 0.867 384 K CB 0.784 33.361 32.500 0.129 0.000 1.465 384 K HN -0.087 nan 8.250 nan 0.000 0.417 385 M N 2.501 122.152 119.600 0.085 0.000 2.238 385 M HA 0.376 4.856 4.480 0.001 0.000 0.350 385 M C -0.876 175.559 176.300 0.226 0.000 1.138 385 M CA -0.984 54.411 55.300 0.158 0.000 1.040 385 M CB 1.160 33.793 32.600 0.056 0.000 1.639 385 M HN 0.590 nan 8.290 nan 0.000 0.451 386 V N 6.309 126.368 119.914 0.243 0.000 2.555 386 V HA 0.610 4.731 4.120 0.001 0.000 0.302 386 V C -2.453 173.605 176.094 -0.060 0.000 1.038 386 V CA -2.226 60.141 62.300 0.113 0.000 0.887 386 V CB 2.513 34.343 31.823 0.011 0.000 0.991 386 V HN 0.597 nan 8.190 nan 0.000 0.434 387 P HA 0.234 nan 4.420 nan 0.000 0.268 387 P C -0.665 176.283 177.300 -0.587 0.000 1.204 387 P CA 0.372 62.999 63.100 -0.788 0.000 0.768 387 P CB 0.440 31.828 31.700 -0.520 0.000 0.842 388 T N -1.677 112.454 114.554 -0.704 0.000 2.924 388 T HA 0.362 4.713 4.350 0.001 0.000 0.291 388 T C 1.272 175.743 174.700 -0.381 0.000 1.045 388 T CA -0.211 61.547 62.100 -0.569 0.000 1.015 388 T CB 1.277 69.605 68.868 -0.899 0.000 1.103 388 T HN 0.249 nan 8.240 nan 0.000 0.496 389 S N 0.387 115.937 115.700 -0.250 0.000 2.387 389 S HA -0.082 4.389 4.470 0.001 0.000 0.226 389 S C 0.840 175.362 174.600 -0.130 0.000 1.026 389 S CA 0.925 59.035 58.200 -0.150 0.000 0.972 389 S CB -0.947 62.206 63.200 -0.078 0.000 0.814 389 S HN 0.880 nan 8.310 nan 0.000 0.477 390 D N 2.225 122.546 120.400 -0.132 0.000 2.426 390 D HA 0.278 4.919 4.640 0.001 0.000 0.271 390 D C 0.288 176.535 176.300 -0.088 0.000 1.376 390 D CA 0.437 54.396 54.000 -0.069 0.000 1.149 390 D CB -0.571 40.230 40.800 0.003 0.000 1.118 390 D HN 0.371 nan 8.370 nan 0.000 0.529 391 K N 1.392 121.750 120.400 -0.071 0.000 1.667 391 K HA -0.162 4.159 4.320 0.001 0.000 0.669 391 K C 0.853 177.392 176.600 -0.102 0.000 1.959 391 K CA 1.428 57.679 56.287 -0.060 0.000 0.980 391 K CB -1.345 31.139 32.500 -0.026 0.000 1.773 391 K HN 0.374 nan 8.250 nan 0.000 0.520 392 G N 0.777 109.542 108.800 -0.059 0.000 3.448 392 G HA2 0.159 4.119 3.960 0.001 0.000 0.261 392 G HA3 0.159 4.119 3.960 0.001 0.000 0.261 392 G C -0.273 174.617 174.900 -0.016 0.000 1.173 392 G CA -0.185 44.885 45.100 -0.051 0.000 0.835 392 G HN 0.224 nan 8.290 nan 0.000 0.534 393 R N -0.050 120.400 120.500 -0.082 0.000 2.679 393 R HA 0.382 4.723 4.340 0.001 0.000 0.269 393 R C -1.002 175.175 176.300 -0.205 0.000 1.076 393 R CA 0.010 56.116 56.100 0.011 0.000 1.160 393 R CB 0.435 30.744 30.300 0.015 0.000 1.054 393 R HN 0.156 nan 8.270 nan 0.000 0.507 394 F N 0.770 120.677 119.950 -0.072 0.000 2.540 394 F HA 0.327 4.855 4.527 0.001 0.000 0.317 394 F C -0.355 175.529 175.800 0.139 0.000 1.104 394 F CA -1.037 56.923 58.000 -0.066 0.000 0.913 394 F CB 1.385 40.363 39.000 -0.037 0.000 1.170 394 F HN 0.204 nan 8.300 nan 0.000 0.450 395 Y N 1.687 122.077 120.300 0.149 0.000 2.330 395 Y HA 0.601 5.152 4.550 0.001 0.000 0.336 395 Y C 0.374 176.368 175.900 0.157 0.000 1.036 395 Y CA -2.197 55.977 58.100 0.124 0.000 1.125 395 Y CB 1.089 39.602 38.460 0.088 0.000 1.194 395 Y HN 0.634 nan 8.280 nan 0.000 0.469 396 A N 4.459 127.454 122.820 0.293 0.000 2.450 396 A HA 0.384 4.705 4.320 0.001 0.000 0.255 396 A C -1.044 176.685 177.584 0.242 0.000 1.096 396 A CA -0.099 52.066 52.037 0.215 0.000 0.778 396 A CB -0.383 18.694 19.000 0.128 0.000 1.031 396 A HN 0.584 nan 8.150 nan 0.000 0.494 397 F N 2.498 122.510 119.950 0.103 0.000 2.495 397 F HA 0.691 5.219 4.527 0.001 0.000 0.327 397 F C 0.437 176.299 175.800 0.104 0.000 1.103 397 F CA 0.578 58.636 58.000 0.096 0.000 0.949 397 F CB 1.677 40.733 39.000 0.093 0.000 1.142 397 F HN 0.897 nan 8.300 nan 0.000 0.457 398 G N 4.930 113.289 108.800 -0.735 0.000 2.510 398 G HA2 0.442 4.402 3.960 0.001 0.000 0.277 398 G HA3 0.442 4.402 3.960 0.001 0.000 0.277 398 G C -2.038 172.594 174.900 -0.447 0.000 1.223 398 G CA -1.110 43.745 45.100 -0.407 0.000 0.887 398 G HN 0.774 nan 8.290 nan 0.000 0.485 399 R N -0.751 119.637 120.500 -0.186 0.000 2.673 399 R HA 0.603 4.943 4.340 0.001 0.000 0.281 399 R C -1.517 174.624 176.300 -0.266 0.000 0.991 399 R CA -0.571 55.337 56.100 -0.319 0.000 0.896 399 R CB 2.303 32.291 30.300 -0.520 0.000 1.201 399 R HN 0.394 nan 8.270 nan 0.000 0.457 400 V N 5.722 125.465 119.914 -0.286 0.000 2.322 400 V HA 0.212 4.332 4.120 0.001 0.000 0.258 400 V C 0.306 176.273 176.094 -0.212 0.000 1.074 400 V CA -0.084 62.123 62.300 -0.154 0.000 0.909 400 V CB 0.479 32.239 31.823 -0.104 0.000 1.090 400 V HN 0.752 nan 8.190 nan 0.000 0.486 401 F N 2.685 122.640 119.950 0.009 0.000 2.710 401 F HA 0.472 5.000 4.527 0.001 0.000 0.298 401 F C 1.249 177.036 175.800 -0.021 0.000 1.137 401 F CA 0.777 58.772 58.000 -0.009 0.000 1.444 401 F CB 0.286 39.290 39.000 0.008 0.000 1.111 401 F HN 0.584 nan 8.300 nan 0.000 0.580 402 A N -1.235 121.662 122.820 0.129 0.000 2.599 402 A HA 0.584 4.904 4.320 0.001 0.000 0.294 402 A C 0.177 177.782 177.584 0.035 0.000 1.055 402 A CA -0.315 51.760 52.037 0.064 0.000 0.683 402 A CB 0.164 19.198 19.000 0.055 0.000 1.278 402 A HN 0.699 nan 8.150 nan 0.000 0.412 403 G N 0.091 108.899 108.800 0.013 0.000 2.645 403 G HA2 0.417 4.378 3.960 0.001 0.000 0.246 403 G HA3 0.417 4.378 3.960 0.001 0.000 0.246 403 G C 0.191 175.089 174.900 -0.004 0.000 1.322 403 G CA 0.500 45.603 45.100 0.005 0.000 0.898 403 G HN 2.880 nan 8.290 nan 0.000 0.573 404 T N -3.668 110.882 114.554 -0.007 0.000 2.916 404 T HA 0.662 5.012 4.350 0.001 0.000 0.298 404 T C -0.388 174.303 174.700 -0.014 0.000 1.031 404 T CA 0.102 62.193 62.100 -0.015 0.000 0.993 404 T CB 1.896 70.753 68.868 -0.018 0.000 1.045 404 T HN 1.981 nan 8.240 nan 0.000 0.454 405 V N 3.378 123.280 119.914 -0.019 0.000 2.617 405 V HA 0.814 4.934 4.120 0.001 0.000 0.298 405 V C -0.815 175.266 176.094 -0.023 0.000 1.048 405 V CA -0.507 61.782 62.300 -0.019 0.000 0.964 405 V CB 1.032 32.842 31.823 -0.022 0.000 1.004 405 V HN 1.146 nan 8.190 nan 0.000 0.466 406 K N 3.482 123.869 120.400 -0.021 0.000 2.543 406 K HA 0.478 4.798 4.320 0.001 0.000 0.255 406 K C -0.703 175.884 176.600 -0.022 0.000 0.934 406 K CA -0.537 55.737 56.287 -0.022 0.000 0.810 406 K CB 1.552 34.041 32.500 -0.019 0.000 1.315 406 K HN 0.450 nan 8.250 nan 0.000 0.433 407 S N 0.894 116.579 115.700 -0.025 0.000 2.599 407 S HA 0.140 4.611 4.470 0.001 0.000 0.303 407 S C 1.400 175.989 174.600 -0.019 0.000 1.267 407 S CA 1.420 59.605 58.200 -0.025 0.000 1.055 407 S CB 0.080 63.265 63.200 -0.025 0.000 0.790 407 S HN 1.086 nan 8.310 nan 0.000 0.500 408 G N 1.925 110.715 108.800 -0.016 0.000 2.347 408 G HA2 -0.343 3.617 3.960 0.001 0.000 0.247 408 G HA3 -0.343 3.617 3.960 0.001 0.000 0.247 408 G C 0.164 175.056 174.900 -0.014 0.000 1.037 408 G CA 0.433 45.526 45.100 -0.012 0.000 0.622 408 G HN 0.856 nan 8.290 nan 0.000 0.521 409 Q N 1.828 121.618 119.800 -0.017 0.000 2.269 409 Q HA 0.271 4.611 4.340 0.001 0.000 0.300 409 Q C 0.734 176.720 176.000 -0.023 0.000 1.070 409 Q CA 0.532 56.325 55.803 -0.018 0.000 0.957 409 Q CB 0.201 28.929 28.738 -0.018 0.000 1.131 409 Q HN 0.667 nan 8.270 nan 0.000 0.377 410 K N 2.381 122.765 120.400 -0.026 0.000 2.312 410 K HA 0.366 4.687 4.320 0.001 0.000 0.287 410 K C -1.033 175.541 176.600 -0.044 0.000 1.062 410 K CA -0.705 55.559 56.287 -0.038 0.000 0.934 410 K CB 1.140 33.618 32.500 -0.037 0.000 1.027 410 K HN 0.279 nan 8.250 nan 0.000 0.478 411 V N 3.236 123.116 119.914 -0.058 0.000 3.019 411 V HA 0.398 4.518 4.120 0.001 0.000 0.317 411 V C -0.049 175.991 176.094 -0.090 0.000 1.094 411 V CA -1.280 60.985 62.300 -0.059 0.000 1.000 411 V CB 1.790 33.586 31.823 -0.044 0.000 1.060 411 V HN 0.761 nan 8.190 nan 0.000 0.443 412 R N 2.224 122.671 120.500 -0.088 0.000 2.198 412 R HA 0.535 4.875 4.340 0.001 0.000 0.339 412 R C -0.920 175.299 176.300 -0.136 0.000 1.020 412 R CA -0.253 55.766 56.100 -0.135 0.000 0.864 412 R CB 0.723 30.936 30.300 -0.145 0.000 1.105 412 R HN 0.557 nan 8.270 nan 0.000 0.463 413 I N 4.168 124.659 120.570 -0.132 0.000 2.281 413 I HA 0.060 4.231 4.170 0.001 0.000 0.293 413 I C 0.209 176.271 176.117 -0.092 0.000 1.085 413 I CA -0.153 61.113 61.300 -0.057 0.000 1.257 413 I CB 0.739 38.748 38.000 0.015 0.000 1.430 413 I HN 0.377 nan 8.210 nan 0.000 0.489 414 Q N 5.460 125.170 119.800 -0.150 0.000 2.349 414 Q HA 0.375 4.716 4.340 0.001 0.000 0.254 414 Q C 0.576 176.580 176.000 0.006 0.000 0.980 414 Q CA -0.467 55.194 55.803 -0.238 0.000 0.924 414 Q CB 1.620 30.209 28.738 -0.247 0.000 1.209 414 Q HN 0.782 nan 8.270 nan 0.000 0.445 415 G N 2.959 111.806 108.800 0.079 0.000 2.588 415 G HA2 0.144 4.105 3.960 0.001 0.000 0.278 415 G HA3 0.144 4.105 3.960 0.001 0.000 0.278 415 G C -1.743 173.249 174.900 0.153 0.000 1.307 415 G CA -1.190 44.002 45.100 0.153 0.000 1.016 415 G HN 0.347 nan 8.290 nan 0.000 0.503 416 P HA -0.149 nan 4.420 nan 0.000 0.215 416 P C 1.527 178.894 177.300 0.113 0.000 1.163 416 P CA 1.256 64.427 63.100 0.118 0.000 0.894 416 P CB 0.177 31.947 31.700 0.117 0.000 0.791 417 N N -2.505 116.267 118.700 0.120 0.000 2.515 417 N HA -0.080 4.661 4.740 0.001 0.000 0.185 417 N C 0.563 176.128 175.510 0.092 0.000 1.109 417 N CA 0.180 53.285 53.050 0.093 0.000 0.903 417 N CB -0.534 38.006 38.487 0.088 0.000 0.969 417 N HN 0.230 nan 8.380 nan 0.000 0.450 418 Y N 1.508 121.802 120.300 -0.009 0.000 2.652 418 Y HA 0.062 4.613 4.550 0.001 0.000 0.344 418 Y C -0.033 175.833 175.900 -0.057 0.000 1.254 418 Y CA 0.146 58.219 58.100 -0.044 0.000 1.480 418 Y CB 0.552 38.983 38.460 -0.048 0.000 1.345 418 Y HN -0.292 nan 8.280 nan 0.000 0.617 419 V N 8.007 127.306 119.914 -1.024 0.000 2.752 419 V HA 0.163 4.283 4.120 0.001 0.000 0.302 419 V C -1.925 173.449 176.094 -1.200 0.000 1.133 419 V CA -1.403 60.391 62.300 -0.843 0.000 0.919 419 V CB 1.900 33.484 31.823 -0.398 0.000 1.026 419 V HN 0.642 nan 8.190 nan 0.000 0.429 420 P HA -0.205 nan 4.420 nan 0.000 0.218 420 P C 1.536 178.636 177.300 -0.334 0.000 1.150 420 P CA 2.029 64.792 63.100 -0.563 0.000 0.841 420 P CB 0.298 31.710 31.700 -0.480 0.000 0.784 421 G N -0.551 108.059 108.800 -0.318 0.000 2.484 421 G HA2 -0.154 3.807 3.960 0.001 0.000 0.215 421 G HA3 -0.154 3.807 3.960 0.001 0.000 0.215 421 G C 0.769 175.585 174.900 -0.140 0.000 1.219 421 G CA 0.671 45.664 45.100 -0.178 0.000 0.791 421 G HN 0.272 nan 8.290 nan 0.000 0.550 422 K N -0.586 119.712 120.400 -0.170 0.000 2.362 422 K HA 0.405 4.725 4.320 0.001 0.000 0.245 422 K C 0.433 177.017 176.600 -0.027 0.000 1.040 422 K CA -0.494 55.738 56.287 -0.091 0.000 0.961 422 K CB 0.707 33.160 32.500 -0.078 0.000 1.252 422 K HN -0.102 nan 8.250 nan 0.000 0.503 423 K N 1.049 121.457 120.400 0.014 0.000 2.414 423 K HA 0.116 4.437 4.320 0.001 0.000 0.204 423 K C -0.821 175.794 176.600 0.025 0.000 1.026 423 K CA 0.018 56.337 56.287 0.053 0.000 1.108 423 K CB 0.509 33.011 32.500 0.004 0.000 0.855 423 K HN 0.496 nan 8.250 nan 0.000 0.517 424 D N 1.767 122.190 120.400 0.039 0.000 2.345 424 D HA -0.017 4.623 4.640 0.001 0.000 0.247 424 D C 0.399 176.719 176.300 0.034 0.000 1.108 424 D CA 0.458 54.466 54.000 0.014 0.000 0.894 424 D CB 0.851 41.666 40.800 0.026 0.000 1.203 424 D HN 0.058 nan 8.370 nan 0.000 0.430 425 D N 0.253 120.596 120.400 -0.094 0.000 2.837 425 D HA -0.196 4.444 4.640 0.001 0.000 0.230 425 D C -0.839 175.218 176.300 -0.406 0.000 1.152 425 D CA 0.409 54.324 54.000 -0.143 0.000 0.736 425 D CB -0.844 40.008 40.800 0.088 0.000 1.084 425 D HN 0.220 nan 8.370 nan 0.000 0.429 426 L N -0.449 120.339 121.223 -0.725 0.000 2.330 426 L HA 0.728 5.069 4.340 0.001 0.000 0.271 426 L C -0.805 175.379 176.870 -1.143 0.000 1.013 426 L CA -0.516 53.877 54.840 -0.745 0.000 0.816 426 L CB 1.404 43.177 42.059 -0.476 0.000 1.287 426 L HN -0.063 nan 8.230 nan 0.000 0.435 427 F N 4.635 124.460 119.950 -0.209 0.000 2.824 427 F HA 0.382 4.909 4.527 0.001 0.000 0.368 427 F C -0.189 175.393 175.800 -0.363 0.000 1.398 427 F CA -0.508 57.332 58.000 -0.266 0.000 1.142 427 F CB 0.128 38.934 39.000 -0.324 0.000 1.997 427 F HN 0.199 nan 8.300 nan 0.000 0.598 428 I N 3.211 123.689 120.570 -0.153 0.000 3.051 428 I HA -0.083 4.088 4.170 0.001 0.000 0.290 428 I C 0.337 176.348 176.117 -0.176 0.000 1.166 428 I CA 0.742 61.952 61.300 -0.151 0.000 1.479 428 I CB -0.395 37.540 38.000 -0.109 0.000 1.505 428 I HN 0.233 nan 8.210 nan 0.000 0.654 429 K N 4.604 124.853 120.400 -0.251 0.000 2.331 429 K HA 0.809 5.130 4.320 0.001 0.000 0.238 429 K C -0.616 175.898 176.600 -0.144 0.000 1.058 429 K CA -0.963 55.166 56.287 -0.262 0.000 0.871 429 K CB 1.791 33.933 32.500 -0.597 0.000 1.292 429 K HN 0.377 nan 8.250 nan 0.000 0.470 430 A N 1.315 124.088 122.820 -0.079 0.000 2.288 430 A HA 0.472 4.793 4.320 0.001 0.000 0.320 430 A C -0.131 177.447 177.584 -0.009 0.000 1.217 430 A CA -0.658 51.358 52.037 -0.035 0.000 0.840 430 A CB 0.086 19.078 19.000 -0.013 0.000 1.179 430 A HN 0.495 nan 8.150 nan 0.000 0.504 431 I N 3.624 124.185 120.570 -0.014 0.000 2.574 431 I HA -0.053 4.117 4.170 0.001 0.000 0.291 431 I C 1.503 177.617 176.117 -0.005 0.000 1.131 431 I CA 0.720 62.017 61.300 -0.005 0.000 1.352 431 I CB -0.600 37.390 38.000 -0.017 0.000 1.431 431 I HN 0.878 nan 8.210 nan 0.000 0.543 432 Q N 3.928 123.733 119.800 0.009 0.000 2.045 432 Q HA -0.156 4.184 4.340 0.001 0.000 0.206 432 Q C 0.599 176.581 176.000 -0.029 0.000 0.991 432 Q CA 1.647 57.450 55.803 0.000 0.000 0.851 432 Q CB 0.158 28.905 28.738 0.015 0.000 0.911 432 Q HN 0.453 nan 8.270 nan 0.000 0.418 433 R N -0.791 119.671 120.500 -0.064 0.000 2.536 433 R HA 0.299 4.640 4.340 0.001 0.000 0.269 433 R C -2.026 174.204 176.300 -0.117 0.000 1.113 433 R CA -0.241 55.806 56.100 -0.088 0.000 0.948 433 R CB 1.737 31.973 30.300 -0.107 0.000 1.237 433 R HN -0.127 nan 8.270 nan 0.000 0.441 434 V N 5.076 124.942 119.914 -0.081 0.000 2.439 434 V HA 0.649 4.769 4.120 0.001 0.000 0.282 434 V C -0.150 175.902 176.094 -0.070 0.000 1.039 434 V CA -0.435 61.821 62.300 -0.073 0.000 0.913 434 V CB 1.341 33.136 31.823 -0.046 0.000 0.983 434 V HN 0.612 nan 8.190 nan 0.000 0.460 435 V N 3.409 123.283 119.914 -0.067 0.000 2.925 435 V HA 0.647 4.768 4.120 0.001 0.000 0.311 435 V C -0.752 175.359 176.094 0.028 0.000 1.104 435 V CA -1.021 61.263 62.300 -0.027 0.000 0.954 435 V CB 2.049 33.837 31.823 -0.057 0.000 1.022 435 V HN 0.620 nan 8.190 nan 0.000 0.427 436 L N 4.182 125.438 121.223 0.055 0.000 2.290 436 L HA 0.440 4.781 4.340 0.001 0.000 0.284 436 L C 0.326 177.273 176.870 0.129 0.000 1.078 436 L CA -0.512 54.378 54.840 0.083 0.000 0.815 436 L CB 1.381 43.485 42.059 0.075 0.000 1.162 436 L HN 0.587 nan 8.230 nan 0.000 0.435 437 M N 4.947 124.646 119.600 0.165 0.000 3.436 437 M HA 0.130 4.610 4.480 0.001 0.000 0.240 437 M C 0.116 176.495 176.300 0.130 0.000 1.469 437 M CA 0.218 55.626 55.300 0.181 0.000 1.622 437 M CB -0.054 32.720 32.600 0.290 0.000 1.098 437 M HN 0.534 nan 8.290 nan 0.000 0.568 438 M N 1.277 120.953 119.600 0.127 0.000 3.722 438 M HA 0.144 4.625 4.480 0.001 0.000 0.183 438 M C 1.369 177.702 176.300 0.055 0.000 1.485 438 M CA 0.287 55.663 55.300 0.127 0.000 1.685 438 M CB -1.786 30.931 32.600 0.194 0.000 1.198 438 M HN 0.852 nan 8.290 nan 0.000 0.494 439 G N 1.867 110.667 108.800 -0.001 0.000 3.879 439 G HA2 -0.379 3.581 3.960 0.001 0.000 0.318 439 G HA3 -0.379 3.581 3.960 0.001 0.000 0.318 439 G C 1.130 175.908 174.900 -0.203 0.000 1.344 439 G CA 0.649 45.690 45.100 -0.098 0.000 1.024 439 G HN 0.496 nan 8.290 nan 0.000 0.681 440 R N -0.186 120.062 120.500 -0.420 0.000 2.335 440 R HA 0.474 4.814 4.340 0.001 0.000 0.210 440 R C -0.097 175.844 176.300 -0.599 0.000 0.892 440 R CA 0.015 55.754 56.100 -0.601 0.000 1.048 440 R CB 0.178 29.959 30.300 -0.866 0.000 1.067 440 R HN 0.287 nan 8.270 nan 0.000 0.524 441 F N -0.090 119.873 119.950 0.021 0.000 2.561 441 F HA 0.408 4.936 4.527 0.001 0.000 0.321 441 F C -0.058 175.780 175.800 0.063 0.000 1.065 441 F CA -1.682 56.340 58.000 0.035 0.000 0.934 441 F CB 1.389 40.406 39.000 0.028 0.000 1.215 441 F HN -0.338 nan 8.300 nan 0.000 0.471 442 V N -0.835 119.246 119.914 0.278 0.000 2.513 442 V HA 0.809 4.930 4.120 0.001 0.000 0.299 442 V C -1.044 175.141 176.094 0.152 0.000 1.035 442 V CA -0.642 61.781 62.300 0.204 0.000 0.889 442 V CB 1.663 33.629 31.823 0.237 0.000 0.988 442 V HN 0.737 nan 8.190 nan 0.000 0.440 443 E N 5.000 125.268 120.200 0.112 0.000 2.186 443 E HA 0.579 4.930 4.350 0.001 0.000 0.255 443 E C -2.862 173.763 176.600 0.041 0.000 0.881 443 E CA -2.346 54.098 56.400 0.074 0.000 0.752 443 E CB 1.884 31.630 29.700 0.077 0.000 1.176 443 E HN 0.643 nan 8.360 nan 0.000 0.421 444 P HA -0.004 nan 4.420 nan 0.000 0.263 444 P C -0.836 176.463 177.300 -0.001 0.000 1.175 444 P CA 0.172 63.271 63.100 -0.001 0.000 0.761 444 P CB 0.355 32.053 31.700 -0.004 0.000 0.794 445 I N 2.110 122.673 120.570 -0.012 0.000 2.607 445 I HA 0.226 4.397 4.170 0.001 0.000 0.290 445 I C 0.644 176.750 176.117 -0.020 0.000 1.129 445 I CA -0.472 60.820 61.300 -0.013 0.000 1.042 445 I CB 1.542 39.535 38.000 -0.010 0.000 1.242 445 I HN 0.234 nan 8.210 nan 0.000 0.421 446 D N 4.130 124.519 120.400 -0.018 0.000 2.137 446 D HA -0.139 4.502 4.640 0.001 0.000 0.193 446 D C 0.013 176.300 176.300 -0.022 0.000 0.993 446 D CA 1.991 55.979 54.000 -0.019 0.000 0.846 446 D CB -0.003 40.786 40.800 -0.017 0.000 0.990 446 D HN 0.786 nan 8.370 nan 0.000 0.448 447 D N -1.190 119.197 120.400 -0.023 0.000 2.533 447 D HA 0.363 5.003 4.640 0.001 0.000 0.247 447 D C -0.916 175.367 176.300 -0.028 0.000 1.056 447 D CA -0.710 53.275 54.000 -0.024 0.000 1.054 447 D CB 2.176 42.963 40.800 -0.022 0.000 1.400 447 D HN 0.205 nan 8.370 nan 0.000 0.533 448 C N 1.319 120.601 119.300 -0.031 0.000 2.607 448 C HA 0.523 4.983 4.460 0.001 0.000 0.350 448 C C -2.847 172.120 174.990 -0.040 0.000 1.101 448 C CA -1.025 57.971 59.018 -0.037 0.000 1.282 448 C CB 1.388 29.102 27.740 -0.043 0.000 1.825 448 C HN 0.486 nan 8.230 nan 0.000 0.460 449 P HA 0.354 nan 4.420 nan 0.000 0.279 449 P C -0.323 176.946 177.300 -0.052 0.000 1.252 449 P CA 0.082 63.158 63.100 -0.039 0.000 0.811 449 P CB 0.978 32.657 31.700 -0.034 0.000 1.035 450 A N 1.162 123.955 122.820 -0.046 0.000 2.587 450 A HA 0.359 4.680 4.320 0.001 0.000 0.233 450 A C 1.428 178.961 177.584 -0.085 0.000 1.049 450 A CA 1.125 53.125 52.037 -0.062 0.000 0.754 450 A CB -1.569 17.414 19.000 -0.027 0.000 0.977 450 A HN 0.913 nan 8.150 nan 0.000 0.509 451 G N 1.765 110.476 108.800 -0.149 0.000 2.201 451 G HA2 -0.177 3.784 3.960 0.001 0.000 0.212 451 G HA3 -0.177 3.784 3.960 0.001 0.000 0.212 451 G C -0.068 174.736 174.900 -0.160 0.000 0.994 451 G CA 0.252 45.260 45.100 -0.154 0.000 0.644 451 G HN 0.952 nan 8.290 nan 0.000 0.508 452 N N -0.536 118.068 118.700 -0.161 0.000 2.457 452 N HA 0.757 5.497 4.740 0.001 0.000 0.290 452 N C -0.834 174.569 175.510 -0.177 0.000 1.232 452 N CA -0.653 52.318 53.050 -0.132 0.000 0.852 452 N CB 1.199 39.637 38.487 -0.082 0.000 1.313 452 N HN 0.030 nan 8.380 nan 0.000 0.522 453 I N 1.481 121.969 120.570 -0.136 0.000 2.304 453 I HA 0.380 4.550 4.170 0.001 0.000 0.291 453 I C -0.673 175.355 176.117 -0.149 0.000 1.018 453 I CA -0.261 60.919 61.300 -0.199 0.000 1.260 453 I CB 0.347 38.294 38.000 -0.089 0.000 1.390 453 I HN 0.433 nan 8.210 nan 0.000 0.475 454 I N 5.048 125.487 120.570 -0.218 0.000 3.145 454 I HA 0.869 5.040 4.170 0.001 0.000 0.313 454 I C -0.040 176.021 176.117 -0.094 0.000 1.122 454 I CA -0.464 60.773 61.300 -0.104 0.000 0.987 454 I CB 2.285 40.237 38.000 -0.081 0.000 1.236 454 I HN 0.481 nan 8.210 nan 0.000 0.453 455 G N 4.187 112.993 108.800 0.011 0.000 2.453 455 G HA2 0.683 4.644 3.960 0.001 0.000 0.323 455 G HA3 0.683 4.644 3.960 0.001 0.000 0.323 455 G C -1.697 173.198 174.900 -0.009 0.000 1.198 455 G CA -0.617 44.522 45.100 0.066 0.000 0.959 455 G HN 0.586 nan 8.290 nan 0.000 0.482 456 L N 0.845 122.070 121.223 0.002 0.000 2.362 456 L HA 0.571 4.911 4.340 0.001 0.000 0.271 456 L C -0.703 176.095 176.870 -0.119 0.000 1.002 456 L CA -1.189 53.621 54.840 -0.050 0.000 0.818 456 L CB 2.456 44.516 42.059 0.002 0.000 1.298 456 L HN 0.174 nan 8.230 nan 0.000 0.420 457 V N 1.336 121.122 119.914 -0.214 0.000 2.378 457 V HA 0.682 4.803 4.120 0.001 0.000 0.288 457 V C 0.625 176.699 176.094 -0.032 0.000 1.016 457 V CA 0.077 62.205 62.300 -0.287 0.000 0.840 457 V CB 1.104 32.593 31.823 -0.557 0.000 0.994 457 V HN 1.073 nan 8.190 nan 0.000 0.431 458 G N 4.306 113.163 108.800 0.095 0.000 2.147 458 G HA2 -0.139 3.822 3.960 0.001 0.000 0.128 458 G HA3 -0.139 3.822 3.960 0.001 0.000 0.128 458 G C -0.015 175.015 174.900 0.217 0.000 1.026 458 G CA -0.013 45.166 45.100 0.132 0.000 0.693 458 G HN 0.586 nan 8.290 nan 0.000 0.499 459 I N 1.262 121.952 120.570 0.199 0.000 4.187 459 I HA 0.191 4.361 4.170 0.001 0.000 0.326 459 I C 2.056 178.227 176.117 0.089 0.000 1.302 459 I CA 0.968 62.443 61.300 0.291 0.000 1.196 459 I CB 0.286 38.409 38.000 0.205 0.000 1.095 459 I HN 0.188 nan 8.210 nan 0.000 0.411 460 D N 1.309 121.731 120.400 0.037 0.000 2.248 460 D HA -0.329 4.311 4.640 0.001 0.000 0.191 460 D C 1.664 177.817 176.300 -0.245 0.000 1.013 460 D CA 1.709 55.681 54.000 -0.046 0.000 0.883 460 D CB -0.691 40.151 40.800 0.070 0.000 0.915 460 D HN 0.512 nan 8.370 nan 0.000 0.448 461 Q N -0.572 118.931 119.800 -0.494 0.000 2.280 461 Q HA 0.091 4.431 4.340 0.001 0.000 0.202 461 Q C 0.361 175.772 176.000 -0.982 0.000 0.903 461 Q CA 0.187 55.560 55.803 -0.716 0.000 0.948 461 Q CB -0.114 28.149 28.738 -0.792 0.000 1.058 461 Q HN 0.424 nan 8.270 nan 0.000 0.493 462 F N -0.116 119.629 119.950 -0.340 0.000 2.658 462 F HA 0.357 4.885 4.527 0.001 0.000 0.293 462 F C 0.623 176.212 175.800 -0.351 0.000 0.986 462 F CA -0.285 57.348 58.000 -0.612 0.000 1.182 462 F CB 0.690 39.413 39.000 -0.462 0.000 0.965 462 F HN -0.127 nan 8.300 nan 0.000 0.659 463 L N 1.348 122.565 121.223 -0.010 0.000 2.298 463 L HA 0.292 4.633 4.340 0.001 0.000 0.284 463 L C 0.872 177.703 176.870 -0.065 0.000 1.013 463 L CA -0.548 54.297 54.840 0.007 0.000 0.824 463 L CB 2.084 44.170 42.059 0.046 0.000 1.221 463 L HN 0.077 nan 8.230 nan 0.000 0.418 464 L N 4.173 125.359 121.223 -0.061 0.000 1.976 464 L HA -0.146 4.194 4.340 0.001 0.000 0.209 464 L C 1.692 178.472 176.870 -0.149 0.000 1.071 464 L CA 2.171 56.942 54.840 -0.116 0.000 0.746 464 L CB -0.143 41.877 42.059 -0.065 0.000 0.890 464 L HN 0.682 nan 8.230 nan 0.000 0.432 465 K N -3.303 117.040 120.400 -0.094 0.000 2.890 465 K HA 0.243 4.564 4.320 0.001 0.000 0.202 465 K C 0.049 176.625 176.600 -0.041 0.000 1.592 465 K CA 0.395 56.597 56.287 -0.142 0.000 1.197 465 K CB 0.751 33.041 32.500 -0.351 0.000 1.913 465 K HN 0.100 nan 8.250 nan 0.000 0.550 466 T N 0.646 115.231 114.554 0.052 0.000 2.918 466 T HA 0.689 5.040 4.350 0.001 0.000 0.286 466 T C -0.257 174.443 174.700 -0.001 0.000 1.026 466 T CA -0.523 61.613 62.100 0.060 0.000 1.031 466 T CB 1.947 70.948 68.868 0.222 0.000 1.046 466 T HN 0.422 nan 8.240 nan 0.000 0.479 467 G N 0.467 109.190 108.800 -0.128 0.000 2.356 467 G HA2 0.528 4.488 3.960 0.001 0.000 0.294 467 G HA3 0.528 4.488 3.960 0.001 0.000 0.294 467 G C -1.466 173.338 174.900 -0.159 0.000 1.423 467 G CA -0.665 44.385 45.100 -0.084 0.000 0.806 467 G HN 0.687 nan 8.290 nan 0.000 0.527 468 T N 0.236 114.765 114.554 -0.042 0.000 2.841 468 T HA 0.648 4.998 4.350 0.001 0.000 0.283 468 T C -0.967 173.746 174.700 0.021 0.000 1.000 468 T CA -0.327 61.779 62.100 0.011 0.000 0.977 468 T CB 1.508 70.430 68.868 0.089 0.000 0.979 468 T HN 0.346 nan 8.240 nan 0.000 0.446 469 L N 3.506 124.755 121.223 0.043 0.000 2.356 469 L HA 0.697 5.038 4.340 0.001 0.000 0.277 469 L C 0.691 177.589 176.870 0.046 0.000 0.996 469 L CA -0.257 54.597 54.840 0.023 0.000 0.822 469 L CB 1.790 43.859 42.059 0.017 0.000 1.256 469 L HN 0.943 nan 8.230 nan 0.000 0.413 470 T N -2.115 112.452 114.554 0.022 0.000 2.669 470 T HA 0.650 5.001 4.350 0.001 0.000 0.283 470 T C 0.279 174.986 174.700 0.012 0.000 1.019 470 T CA -0.099 62.026 62.100 0.041 0.000 1.039 470 T CB 1.882 70.793 68.868 0.073 0.000 1.374 470 T HN 0.322 nan 8.240 nan 0.000 0.523 471 T N 0.005 114.572 114.554 0.022 0.000 3.029 471 T HA 0.342 4.692 4.350 0.001 0.000 0.256 471 T C 0.609 175.320 174.700 0.018 0.000 0.914 471 T CA 0.009 62.113 62.100 0.008 0.000 0.880 471 T CB 0.302 69.174 68.868 0.007 0.000 1.246 471 T HN 0.655 nan 8.240 nan 0.000 0.523 472 S N 2.316 118.040 115.700 0.040 0.000 2.455 472 S HA 0.099 4.570 4.470 0.001 0.000 0.278 472 S C 1.297 175.936 174.600 0.065 0.000 1.216 472 S CA -0.313 57.919 58.200 0.053 0.000 1.055 472 S CB 0.413 63.656 63.200 0.072 0.000 0.939 472 S HN 0.230 nan 8.310 nan 0.000 0.494 473 E N 2.710 122.940 120.200 0.051 0.000 2.265 473 E HA -0.109 4.242 4.350 0.001 0.000 0.196 473 E C 1.149 177.798 176.600 0.082 0.000 0.996 473 E CA 1.289 57.723 56.400 0.057 0.000 0.832 473 E CB -0.133 29.588 29.700 0.036 0.000 0.756 473 E HN 0.833 nan 8.360 nan 0.000 0.491 474 T N -1.721 112.883 114.554 0.083 0.000 3.258 474 T HA 0.539 4.889 4.350 0.001 0.000 0.259 474 T C 0.100 174.894 174.700 0.157 0.000 0.963 474 T CA -0.411 61.742 62.100 0.089 0.000 0.919 474 T CB 0.479 69.398 68.868 0.084 0.000 1.110 474 T HN 0.044 nan 8.240 nan 0.000 0.550 475 A N 1.378 124.305 122.820 0.178 0.000 2.249 475 A HA 0.638 4.958 4.320 0.001 0.000 0.314 475 A C -0.262 177.483 177.584 0.268 0.000 1.290 475 A CA -0.646 51.560 52.037 0.281 0.000 0.893 475 A CB 0.139 19.279 19.000 0.234 0.000 1.165 475 A HN 0.630 nan 8.150 nan 0.000 0.530 476 H N 1.348 120.527 119.070 0.181 0.000 2.639 476 H HA 0.204 4.761 4.556 0.001 0.000 0.373 476 H C 0.539 175.868 175.328 0.001 0.000 1.372 476 H CA 0.486 56.511 56.048 -0.039 0.000 1.448 476 H CB 0.495 30.030 29.762 -0.378 0.000 1.544 476 H HN 0.671 nan 8.280 nan 0.000 0.615 477 N N 0.483 119.241 118.700 0.097 0.000 2.493 477 N HA 0.189 4.929 4.740 0.001 0.000 0.275 477 N C -0.346 175.185 175.510 0.034 0.000 1.186 477 N CA -0.219 52.898 53.050 0.112 0.000 0.978 477 N CB 0.891 39.453 38.487 0.125 0.000 1.184 477 N HN 0.398 nan 8.380 nan 0.000 0.487 478 M N 0.516 120.204 119.600 0.147 0.000 2.367 478 M HA 0.177 4.657 4.480 0.001 0.000 0.339 478 M C 0.422 176.845 176.300 0.204 0.000 1.177 478 M CA -0.899 54.500 55.300 0.165 0.000 1.068 478 M CB 0.818 33.595 32.600 0.294 0.000 1.602 478 M HN 0.280 nan 8.290 nan 0.000 0.457 479 K N 2.552 123.008 120.400 0.093 0.000 2.277 479 K HA -0.067 4.253 4.320 0.001 0.000 0.241 479 K C -0.733 176.002 176.600 0.224 0.000 1.338 479 K CA 0.110 56.451 56.287 0.090 0.000 1.296 479 K CB -1.228 31.273 32.500 0.002 0.000 0.719 479 K HN 0.510 nan 8.250 nan 0.000 0.537 480 V N 2.244 122.251 119.914 0.156 0.000 2.963 480 V HA 0.261 4.382 4.120 0.001 0.000 0.306 480 V C 0.450 176.608 176.094 0.106 0.000 1.077 480 V CA -0.217 62.172 62.300 0.150 0.000 1.124 480 V CB 0.795 32.671 31.823 0.087 0.000 0.987 480 V HN 0.582 nan 8.190 nan 0.000 0.487 481 M N 3.709 123.364 119.600 0.093 0.000 2.044 481 M HA 0.431 4.912 4.480 0.001 0.000 0.333 481 M C -0.222 175.918 176.300 -0.267 0.000 1.004 481 M CA -0.403 54.844 55.300 -0.087 0.000 0.954 481 M CB 1.327 33.907 32.600 -0.033 0.000 1.468 481 M HN 0.642 nan 8.290 nan 0.000 0.414 482 K N 3.153 123.399 120.400 -0.257 0.000 2.402 482 K HA 0.192 4.512 4.320 0.001 0.000 0.279 482 K C -1.286 175.098 176.600 -0.360 0.000 1.082 482 K CA 0.667 56.834 56.287 -0.201 0.000 1.080 482 K CB 0.053 32.478 32.500 -0.125 0.000 0.899 482 K HN 0.341 nan 8.250 nan 0.000 0.469 483 F N 0.717 120.688 119.950 0.035 0.000 2.529 483 F HA 0.226 4.754 4.527 0.001 0.000 0.320 483 F C 0.414 176.231 175.800 0.030 0.000 1.118 483 F CA -0.704 57.306 58.000 0.017 0.000 0.915 483 F CB 2.163 41.168 39.000 0.009 0.000 1.161 483 F HN 0.286 nan 8.300 nan 0.000 0.445 484 S N 1.708 117.545 115.700 0.229 0.000 2.503 484 S HA 0.519 4.989 4.470 0.001 0.000 0.301 484 S C -0.088 174.551 174.600 0.066 0.000 1.087 484 S CA -0.433 57.867 58.200 0.166 0.000 1.042 484 S CB 1.782 65.127 63.200 0.241 0.000 1.043 484 S HN 0.570 nan 8.310 nan 0.000 0.489 485 V N 3.973 123.901 119.914 0.023 0.000 3.621 485 V HA 0.315 4.436 4.120 0.001 0.000 0.285 485 V C 0.203 176.253 176.094 -0.074 0.000 1.346 485 V CA 0.214 62.494 62.300 -0.034 0.000 1.104 485 V CB 0.008 31.811 31.823 -0.034 0.000 0.913 485 V HN 0.843 nan 8.190 nan 0.000 0.432 486 S N 3.527 119.142 115.700 -0.142 0.000 2.466 486 S HA 0.223 4.693 4.470 0.001 0.000 0.286 486 S C -2.287 172.176 174.600 -0.228 0.000 1.221 486 S CA -0.406 57.617 58.200 -0.297 0.000 1.091 486 S CB 0.839 63.529 63.200 -0.850 0.000 0.956 486 S HN 0.386 nan 8.310 nan 0.000 0.501 487 P HA 0.057 nan 4.420 nan 0.000 0.244 487 P C 0.757 178.032 177.300 -0.041 0.000 1.723 487 P CA -0.105 62.978 63.100 -0.029 0.000 1.110 487 P CB -0.302 31.416 31.700 0.029 0.000 1.972 488 V N 0.291 120.142 119.914 -0.106 0.000 3.623 488 V HA 0.116 4.237 4.120 0.001 0.000 0.271 488 V C 0.394 176.471 176.094 -0.029 0.000 1.248 488 V CA 0.233 62.457 62.300 -0.127 0.000 1.156 488 V CB -0.421 31.239 31.823 -0.271 0.000 0.870 488 V HN 0.019 nan 8.190 nan 0.000 0.453 489 V N 1.854 121.787 119.914 0.032 0.000 2.697 489 V HA 0.564 4.685 4.120 0.001 0.000 0.300 489 V C -0.598 175.542 176.094 0.078 0.000 1.115 489 V CA -0.644 61.700 62.300 0.073 0.000 0.912 489 V CB 1.444 33.320 31.823 0.088 0.000 1.024 489 V HN 0.673 nan 8.190 nan 0.000 0.431 490 Q N 3.601 123.450 119.800 0.082 0.000 2.683 490 Q HA 0.987 5.327 4.340 0.001 0.000 0.302 490 Q C -1.262 174.766 176.000 0.048 0.000 1.042 490 Q CA -1.081 54.761 55.803 0.065 0.000 0.773 490 Q CB 3.113 31.903 28.738 0.086 0.000 1.508 490 Q HN 0.973 nan 8.270 nan 0.000 0.459 491 V N -4.450 115.472 119.914 0.014 0.000 3.204 491 V HA 0.887 5.008 4.120 0.001 0.000 0.298 491 V C -1.247 174.833 176.094 -0.024 0.000 1.328 491 V CA -0.762 61.541 62.300 0.005 0.000 1.035 491 V CB 1.310 33.135 31.823 0.004 0.000 1.095 491 V HN 1.072 nan 8.190 nan 0.000 0.442 492 A N 1.922 124.735 122.820 -0.012 0.000 2.274 492 A HA 0.846 5.166 4.320 0.001 0.000 0.309 492 A C -0.314 177.268 177.584 -0.003 0.000 1.226 492 A CA -0.589 51.441 52.037 -0.012 0.000 0.853 492 A CB 1.012 20.018 19.000 0.010 0.000 1.146 492 A HN 1.312 nan 8.150 nan 0.000 0.518 493 V N 1.906 121.820 119.914 -0.000 0.000 2.716 493 V HA 0.726 4.846 4.120 0.001 0.000 0.304 493 V C -0.051 176.058 176.094 0.024 0.000 1.053 493 V CA -0.250 62.049 62.300 -0.001 0.000 0.984 493 V CB 1.622 33.426 31.823 -0.031 0.000 1.021 493 V HN 1.047 nan 8.190 nan 0.000 0.467 494 E N 1.228 121.434 120.200 0.011 0.000 2.431 494 E HA 0.428 4.779 4.350 0.001 0.000 0.287 494 E C -0.808 175.797 176.600 0.009 0.000 1.032 494 E CA -0.489 55.924 56.400 0.021 0.000 0.839 494 E CB 1.741 31.461 29.700 0.033 0.000 1.218 494 E HN 0.519 nan 8.360 nan 0.000 0.424 495 V N 1.772 121.690 119.914 0.007 0.000 3.698 495 V HA 0.524 4.644 4.120 0.001 0.000 0.280 495 V C 0.861 176.964 176.094 0.014 0.000 0.995 495 V CA 0.069 62.373 62.300 0.007 0.000 1.000 495 V CB 0.714 32.539 31.823 0.003 0.000 1.248 495 V HN 0.721 nan 8.190 nan 0.000 0.429 496 K N -0.382 120.027 120.400 0.015 0.000 2.402 496 K HA 0.329 4.649 4.320 0.001 0.000 0.203 496 K C -0.223 176.385 176.600 0.014 0.000 1.077 496 K CA 0.080 56.376 56.287 0.016 0.000 1.051 496 K CB -0.203 32.307 32.500 0.018 0.000 0.907 496 K HN 0.938 nan 8.250 nan 0.000 0.554 497 N N -0.970 117.738 118.700 0.013 0.000 2.284 497 N HA 0.421 5.162 4.740 0.001 0.000 0.289 497 N C -0.394 175.123 175.510 0.012 0.000 1.179 497 N CA -0.189 52.867 53.050 0.012 0.000 0.774 497 N CB 1.948 40.441 38.487 0.010 0.000 1.548 497 N HN -0.056 nan 8.380 nan 0.000 0.473 498 A N 1.212 124.039 122.820 0.012 0.000 1.844 498 A HA -0.002 4.318 4.320 0.001 0.000 0.212 498 A C 1.492 179.083 177.584 0.011 0.000 1.221 498 A CA 1.048 53.093 52.037 0.013 0.000 0.607 498 A CB -0.972 18.036 19.000 0.014 0.000 0.878 498 A HN 0.786 nan 8.150 nan 0.000 0.451 499 N N 0.761 119.466 118.700 0.009 0.000 2.187 499 N HA -0.187 4.553 4.740 0.001 0.000 0.194 499 N C 0.541 176.055 175.510 0.006 0.000 1.002 499 N CA 1.601 54.656 53.050 0.008 0.000 0.882 499 N CB -0.207 38.284 38.487 0.006 0.000 1.003 499 N HN 0.471 nan 8.380 nan 0.000 0.443 500 D N 0.516 120.919 120.400 0.005 0.000 2.378 500 D HA -0.067 4.574 4.640 0.001 0.000 0.227 500 D C 1.832 178.130 176.300 -0.004 0.000 1.012 500 D CA 0.047 54.048 54.000 0.001 0.000 0.905 500 D CB -0.049 40.752 40.800 0.001 0.000 0.895 500 D HN 0.367 nan 8.370 nan 0.000 0.532 501 L N 1.322 122.545 121.223 0.001 0.000 2.010 501 L HA -0.196 4.144 4.340 0.001 0.000 0.219 501 L C -0.757 176.104 176.870 -0.014 0.000 1.077 501 L CA 2.065 56.905 54.840 -0.001 0.000 0.773 501 L CB -1.088 40.983 42.059 0.021 0.000 0.892 501 L HN 0.007 nan 8.230 nan 0.000 0.436 502 P HA -0.206 nan 4.420 nan 0.000 0.216 502 P C 1.052 178.341 177.300 -0.018 0.000 1.150 502 P CA 1.708 64.804 63.100 -0.006 0.000 0.843 502 P CB -0.033 31.668 31.700 0.002 0.000 0.787 503 K N -1.325 119.065 120.400 -0.017 0.000 2.211 503 K HA -0.105 4.215 4.320 0.001 0.000 0.203 503 K C 1.848 178.428 176.600 -0.033 0.000 1.050 503 K CA 0.799 57.076 56.287 -0.016 0.000 0.945 503 K CB -0.548 31.948 32.500 -0.007 0.000 0.732 503 K HN 0.108 nan 8.250 nan 0.000 0.451 504 L N 0.240 121.425 121.223 -0.063 0.000 2.102 504 L HA -0.035 4.306 4.340 0.001 0.000 0.202 504 L C 1.791 178.553 176.870 -0.180 0.000 1.076 504 L CA 1.297 56.066 54.840 -0.119 0.000 0.761 504 L CB -0.208 41.761 42.059 -0.150 0.000 0.921 504 L HN -0.167 nan 8.230 nan 0.000 0.444 505 V N 0.037 119.846 119.914 -0.176 0.000 2.828 505 V HA -0.202 3.918 4.120 0.001 0.000 0.260 505 V C 2.486 178.533 176.094 -0.078 0.000 1.101 505 V CA 1.633 63.842 62.300 -0.153 0.000 1.123 505 V CB -0.661 31.135 31.823 -0.046 0.000 0.704 505 V HN 0.479 nan 8.190 nan 0.000 0.493 506 E N 0.565 120.730 120.200 -0.058 0.000 2.110 506 E HA 0.094 4.444 4.350 0.001 0.000 0.193 506 E C 2.305 178.893 176.600 -0.020 0.000 0.950 506 E CA 1.060 57.445 56.400 -0.026 0.000 0.840 506 E CB -0.701 28.994 29.700 -0.009 0.000 0.809 506 E HN 0.356 nan 8.360 nan 0.000 0.465 507 G N 1.298 110.092 108.800 -0.011 0.000 2.469 507 G HA2 -0.261 3.699 3.960 0.001 0.000 0.219 507 G HA3 -0.261 3.699 3.960 0.001 0.000 0.219 507 G C 1.606 176.454 174.900 -0.087 0.000 1.150 507 G CA 0.989 46.108 45.100 0.032 0.000 0.763 507 G HN 0.256 nan 8.290 nan 0.000 0.561 508 L N -0.108 121.046 121.223 -0.115 0.000 2.012 508 L HA -0.124 4.216 4.340 0.001 0.000 0.210 508 L C 3.061 179.858 176.870 -0.123 0.000 1.073 508 L CA 1.667 56.422 54.840 -0.143 0.000 0.748 508 L CB -0.292 41.685 42.059 -0.135 0.000 0.891 508 L HN 0.223 nan 8.230 nan 0.000 0.431 509 K N -0.772 119.584 120.400 -0.074 0.000 2.097 509 K HA -0.125 4.195 4.320 0.001 0.000 0.206 509 K C 2.217 178.785 176.600 -0.054 0.000 1.049 509 K CA 0.833 57.095 56.287 -0.042 0.000 0.933 509 K CB -0.088 32.403 32.500 -0.016 0.000 0.717 509 K HN 0.175 nan 8.250 nan 0.000 0.442 510 R N 0.882 121.351 120.500 -0.053 0.000 2.096 510 R HA -0.092 4.249 4.340 0.001 0.000 0.235 510 R C 2.295 178.505 176.300 -0.150 0.000 1.127 510 R CA 0.806 56.904 56.100 -0.003 0.000 0.968 510 R CB -0.764 29.626 30.300 0.150 0.000 0.861 510 R HN 0.190 nan 8.270 nan 0.000 0.440 511 L N 0.870 121.806 121.223 -0.479 0.000 2.056 511 L HA -0.021 4.320 4.340 0.001 0.000 0.207 511 L C 1.832 178.559 176.870 -0.239 0.000 1.078 511 L CA 1.746 56.157 54.840 -0.715 0.000 0.749 511 L CB -0.581 41.075 42.059 -0.672 0.000 0.901 511 L HN -0.031 nan 8.230 nan 0.000 0.433 512 S N -0.532 115.089 115.700 -0.132 0.000 2.474 512 S HA -0.095 4.375 4.470 0.001 0.000 0.235 512 S C 1.807 176.427 174.600 0.034 0.000 0.997 512 S CA 0.837 59.017 58.200 -0.034 0.000 0.949 512 S CB -0.227 62.963 63.200 -0.016 0.000 0.766 512 S HN 0.477 nan 8.310 nan 0.000 0.517 513 K N 1.320 121.737 120.400 0.029 0.000 2.098 513 K HA 0.036 4.356 4.320 0.001 0.000 0.203 513 K C 2.422 179.108 176.600 0.145 0.000 1.051 513 K CA 1.307 57.647 56.287 0.088 0.000 0.957 513 K CB -0.295 32.215 32.500 0.017 0.000 0.738 513 K HN 0.472 nan 8.250 nan 0.000 0.447 514 S N 0.405 116.159 115.700 0.090 0.000 2.453 514 S HA -0.064 4.407 4.470 0.001 0.000 0.231 514 S C 0.512 175.227 174.600 0.192 0.000 1.005 514 S CA 0.567 58.832 58.200 0.108 0.000 0.949 514 S CB 0.075 63.365 63.200 0.152 0.000 0.774 514 S HN 0.101 nan 8.310 nan 0.000 0.510 515 D N 0.689 121.196 120.400 0.178 0.000 2.879 515 D HA 0.415 5.055 4.640 0.001 0.000 0.236 515 D C -2.500 173.834 176.300 0.056 0.000 1.171 515 D CA -2.037 52.048 54.000 0.141 0.000 0.868 515 D CB 2.441 43.298 40.800 0.094 0.000 1.598 515 D HN -0.154 nan 8.370 nan 0.000 0.497 516 P HA 0.085 nan 4.420 nan 0.000 0.219 516 P C 1.200 178.430 177.300 -0.116 0.000 1.154 516 P CA 0.488 63.444 63.100 -0.240 0.000 0.826 516 P CB 0.449 31.893 31.700 -0.426 0.000 0.795 517 C N -1.503 117.765 119.300 -0.054 0.000 2.563 517 C HA 0.193 4.654 4.460 0.001 0.000 0.268 517 C C 1.449 176.495 174.990 0.093 0.000 1.365 517 C CA -0.252 58.756 59.018 -0.017 0.000 1.754 517 C CB -0.726 26.953 27.740 -0.100 0.000 1.932 517 C HN 0.058 nan 8.230 nan 0.000 0.536 518 V N 1.698 121.703 119.914 0.151 0.000 2.881 518 V HA 0.518 4.638 4.120 0.001 0.000 0.303 518 V C -0.578 175.554 176.094 0.063 0.000 1.070 518 V CA -0.011 62.369 62.300 0.134 0.000 1.074 518 V CB 1.559 33.410 31.823 0.046 0.000 1.012 518 V HN 0.328 nan 8.190 nan 0.000 0.482 519 L N 5.223 126.489 121.223 0.071 0.000 2.464 519 L HA 0.756 5.097 4.340 0.001 0.000 0.266 519 L C -0.344 176.597 176.870 0.119 0.000 0.965 519 L CA 0.152 55.050 54.840 0.097 0.000 0.833 519 L CB 2.231 44.364 42.059 0.123 0.000 1.296 519 L HN 0.874 nan 8.230 nan 0.000 0.405 520 T N 1.461 116.084 114.554 0.114 0.000 2.863 520 T HA 0.859 5.210 4.350 0.001 0.000 0.285 520 T C -0.931 173.879 174.700 0.183 0.000 1.009 520 T CA -0.469 61.665 62.100 0.057 0.000 0.989 520 T CB 1.592 70.458 68.868 -0.003 0.000 1.004 520 T HN 0.731 nan 8.240 nan 0.000 0.455 521 Y N -0.333 120.000 120.300 0.054 0.000 2.604 521 Y HA 0.628 5.178 4.550 0.001 0.000 0.331 521 Y C -1.269 174.663 175.900 0.053 0.000 1.158 521 Y CA -1.683 56.444 58.100 0.045 0.000 1.056 521 Y CB 1.359 39.818 38.460 -0.001 0.000 1.330 521 Y HN 0.665 nan 8.280 nan 0.000 0.457 522 M N 3.575 123.284 119.600 0.181 0.000 2.077 522 M HA 0.320 4.801 4.480 0.001 0.000 0.348 522 M C 0.325 176.719 176.300 0.156 0.000 1.252 522 M CA -0.238 55.070 55.300 0.013 0.000 1.096 522 M CB 1.367 33.948 32.600 -0.031 0.000 1.568 522 M HN 0.877 nan 8.290 nan 0.000 0.456 523 S N 1.977 117.738 115.700 0.103 0.000 2.641 523 S HA 0.109 4.580 4.470 0.001 0.000 0.261 523 S C 1.079 175.769 174.600 0.149 0.000 1.257 523 S CA -0.095 58.222 58.200 0.195 0.000 0.983 523 S CB 0.798 64.073 63.200 0.125 0.000 0.990 523 S HN 0.794 nan 8.310 nan 0.000 0.572 524 E N 0.181 120.473 120.200 0.152 0.000 2.106 524 E HA -0.087 4.263 4.350 0.001 0.000 0.192 524 E C 1.699 178.276 176.600 -0.038 0.000 0.984 524 E CA 1.217 57.625 56.400 0.013 0.000 0.806 524 E CB -0.117 29.529 29.700 -0.090 0.000 0.750 524 E HN 0.720 nan 8.360 nan 0.000 0.458 525 S N -0.677 115.011 115.700 -0.020 0.000 2.786 525 S HA 0.113 4.583 4.470 0.001 0.000 0.223 525 S C 1.408 175.988 174.600 -0.032 0.000 0.956 525 S CA 0.386 58.571 58.200 -0.025 0.000 0.961 525 S CB 0.100 63.298 63.200 -0.002 0.000 0.784 525 S HN 0.373 nan 8.310 nan 0.000 0.519 526 G N 0.443 109.213 108.800 -0.050 0.000 2.155 526 G HA2 -0.287 3.673 3.960 0.001 0.000 0.257 526 G HA3 -0.287 3.673 3.960 0.001 0.000 0.257 526 G C -0.187 174.609 174.900 -0.172 0.000 0.983 526 G CA 0.273 45.315 45.100 -0.097 0.000 0.676 526 G HN 0.628 nan 8.290 nan 0.000 0.528 527 E N 0.602 120.733 120.200 -0.115 0.000 2.360 527 E HA 0.272 4.623 4.350 0.001 0.000 0.269 527 E C -0.042 176.432 176.600 -0.211 0.000 1.022 527 E CA -0.449 55.888 56.400 -0.105 0.000 0.887 527 E CB 0.328 30.022 29.700 -0.010 0.000 0.990 527 E HN 0.409 nan 8.360 nan 0.000 0.426 528 H N 3.466 122.500 119.070 -0.059 0.000 2.489 528 H HA 0.301 4.857 4.556 0.001 0.000 0.322 528 H C -0.023 175.186 175.328 -0.198 0.000 1.091 528 H CA -0.294 55.685 56.048 -0.115 0.000 1.291 528 H CB 0.679 30.398 29.762 -0.072 0.000 1.436 528 H HN 0.311 nan 8.280 nan 0.000 0.480 529 I N 2.303 122.718 120.570 -0.259 0.000 3.002 529 I HA 0.342 4.513 4.170 0.001 0.000 0.310 529 I C -0.074 175.869 176.117 -0.291 0.000 1.087 529 I CA -1.063 60.009 61.300 -0.380 0.000 1.017 529 I CB 2.022 39.534 38.000 -0.813 0.000 1.226 529 I HN 0.186 nan 8.210 nan 0.000 0.443 530 V N 2.355 122.166 119.914 -0.172 0.000 2.555 530 V HA 0.637 4.758 4.120 0.001 0.000 0.283 530 V C -0.144 175.939 176.094 -0.018 0.000 1.020 530 V CA -0.518 61.734 62.300 -0.081 0.000 0.883 530 V CB 1.500 33.280 31.823 -0.072 0.000 1.030 530 V HN 0.944 nan 8.190 nan 0.000 0.448 531 A N 3.301 126.146 122.820 0.043 0.000 2.340 531 A HA 1.026 5.347 4.320 0.001 0.000 0.331 531 A C 0.234 177.879 177.584 0.102 0.000 1.140 531 A CA 0.017 52.104 52.037 0.083 0.000 0.801 531 A CB 1.803 20.885 19.000 0.136 0.000 1.234 531 A HN 1.130 nan 8.150 nan 0.000 0.469 532 G N -0.892 107.985 108.800 0.128 0.000 2.680 532 G HA2 0.471 4.431 3.960 0.001 0.000 0.290 532 G HA3 0.471 4.431 3.960 0.001 0.000 0.290 532 G C 0.385 175.398 174.900 0.189 0.000 1.355 532 G CA 0.267 45.534 45.100 0.278 0.000 0.903 532 G HN 0.581 nan 8.290 nan 0.000 0.474 533 T N -0.481 114.144 114.554 0.119 0.000 2.946 533 T HA 0.279 4.629 4.350 0.001 0.000 0.271 533 T C 1.098 175.852 174.700 0.090 0.000 1.104 533 T CA 1.586 63.669 62.100 -0.028 0.000 1.114 533 T CB -0.314 68.398 68.868 -0.260 0.000 0.867 533 T HN 1.291 nan 8.240 nan 0.000 0.513 534 G N -0.462 108.407 108.800 0.116 0.000 2.427 534 G HA2 0.360 4.320 3.960 0.001 0.000 0.306 534 G HA3 0.360 4.320 3.960 0.001 0.000 0.306 534 G C 0.100 174.988 174.900 -0.021 0.000 1.280 534 G CA -0.103 45.047 45.100 0.084 0.000 0.837 534 G HN -0.011 nan 8.290 nan 0.000 0.482 535 E N -0.882 119.212 120.200 -0.176 0.000 2.013 535 E HA -0.189 4.162 4.350 0.001 0.000 0.202 535 E C 2.481 178.973 176.600 -0.179 0.000 1.018 535 E CA 1.912 58.130 56.400 -0.304 0.000 0.834 535 E CB -0.155 29.238 29.700 -0.512 0.000 0.770 535 E HN 0.342 nan 8.360 nan 0.000 0.459 536 L N 0.744 121.855 121.223 -0.186 0.000 1.933 536 L HA -0.265 4.075 4.340 0.001 0.000 0.220 536 L C 2.483 179.266 176.870 -0.146 0.000 1.078 536 L CA 2.881 57.594 54.840 -0.211 0.000 0.773 536 L CB -1.143 40.728 42.059 -0.314 0.000 0.890 536 L HN 0.392 nan 8.230 nan 0.000 0.434 537 H N -1.008 117.959 119.070 -0.172 0.000 2.304 537 H HA -0.311 4.246 4.556 0.001 0.000 0.287 537 H C 1.983 177.285 175.328 -0.044 0.000 1.112 537 H CA 2.973 58.980 56.048 -0.068 0.000 1.200 537 H CB -0.619 29.130 29.762 -0.022 0.000 1.349 537 H HN 0.391 nan 8.280 nan 0.000 0.477 538 L N 0.431 121.620 121.223 -0.057 0.000 2.017 538 L HA -0.100 4.240 4.340 0.001 0.000 0.208 538 L C 2.400 179.196 176.870 -0.124 0.000 1.073 538 L CA 2.382 57.163 54.840 -0.097 0.000 0.745 538 L CB -1.016 41.033 42.059 -0.016 0.000 0.894 538 L HN 0.394 nan 8.230 nan 0.000 0.432 539 E N 0.153 120.286 120.200 -0.113 0.000 2.048 539 E HA -0.249 4.101 4.350 0.001 0.000 0.202 539 E C 2.086 178.611 176.600 -0.126 0.000 1.021 539 E CA 2.308 58.641 56.400 -0.112 0.000 0.825 539 E CB -0.425 29.199 29.700 -0.127 0.000 0.756 539 E HN 0.460 nan 8.360 nan 0.000 0.454 540 I N 0.697 121.185 120.570 -0.136 0.000 2.069 540 I HA -0.379 3.792 4.170 0.001 0.000 0.237 540 I C 2.660 178.710 176.117 -0.110 0.000 1.053 540 I CA 1.421 62.667 61.300 -0.090 0.000 1.311 540 I CB -1.878 36.128 38.000 0.011 0.000 1.030 540 I HN 0.278 nan 8.210 nan 0.000 0.398 541 C N 0.827 120.025 119.300 -0.169 0.000 2.396 541 C HA -0.196 4.265 4.460 0.001 0.000 0.279 541 C C 3.012 177.933 174.990 -0.115 0.000 1.229 541 C CA 0.660 59.585 59.018 -0.155 0.000 1.801 541 C CB -1.447 26.152 27.740 -0.234 0.000 2.050 541 C HN 0.474 nan 8.230 nan 0.000 0.491 542 L N 0.064 121.211 121.223 -0.126 0.000 2.005 542 L HA -0.215 4.126 4.340 0.001 0.000 0.207 542 L C 2.817 179.572 176.870 -0.191 0.000 1.072 542 L CA 1.692 56.457 54.840 -0.124 0.000 0.744 542 L CB -0.918 41.080 42.059 -0.102 0.000 0.895 542 L HN 0.442 nan 8.230 nan 0.000 0.433 543 Q N 0.392 120.037 119.800 -0.258 0.000 1.998 543 Q HA -0.283 4.058 4.340 0.001 0.000 0.209 543 Q C 1.781 177.424 176.000 -0.595 0.000 1.002 543 Q CA 2.257 57.718 55.803 -0.569 0.000 0.858 543 Q CB -0.535 27.992 28.738 -0.350 0.000 0.932 543 Q HN 0.463 nan 8.270 nan 0.000 0.416 544 D N 0.408 120.670 120.400 -0.229 0.000 2.239 544 D HA -0.187 4.453 4.640 0.001 0.000 0.202 544 D C 1.576 177.901 176.300 0.041 0.000 0.993 544 D CA 0.865 54.825 54.000 -0.067 0.000 0.874 544 D CB -0.121 40.696 40.800 0.028 0.000 0.922 544 D HN 0.091 nan 8.370 nan 0.000 0.464 545 L N 0.478 121.728 121.223 0.046 0.000 2.034 545 L HA -0.011 4.330 4.340 0.001 0.000 0.203 545 L C 1.956 178.845 176.870 0.033 0.000 1.074 545 L CA 1.619 56.527 54.840 0.113 0.000 0.748 545 L CB -0.496 41.566 42.059 0.005 0.000 0.905 545 L HN -0.064 nan 8.230 nan 0.000 0.439 546 E N -1.802 118.368 120.200 -0.049 0.000 2.401 546 E HA -0.218 4.133 4.350 0.001 0.000 0.199 546 E C 1.583 178.306 176.600 0.205 0.000 1.023 546 E CA 1.157 57.579 56.400 0.036 0.000 0.859 546 E CB -0.013 29.700 29.700 0.023 0.000 0.780 546 E HN 0.743 nan 8.360 nan 0.000 0.523 547 H N -1.246 117.823 119.070 -0.002 0.000 2.460 547 H HA 0.064 4.621 4.556 0.001 0.000 0.297 547 H C 1.008 176.308 175.328 -0.046 0.000 1.023 547 H CA 0.325 56.360 56.048 -0.020 0.000 1.321 547 H CB 0.526 30.275 29.762 -0.022 0.000 1.455 547 H HN 0.109 nan 8.280 nan 0.000 0.539 548 D N -0.272 120.153 120.400 0.041 0.000 3.013 548 D HA -0.018 4.623 4.640 0.001 0.000 0.256 548 D C 1.839 178.084 176.300 -0.092 0.000 1.573 548 D CA 0.045 53.990 54.000 -0.092 0.000 1.197 548 D CB -0.561 40.087 40.800 -0.254 0.000 1.041 548 D HN 0.251 nan 8.370 nan 0.000 0.304 549 H N 1.951 121.012 119.070 -0.015 0.000 2.304 549 H HA -0.119 4.438 4.556 0.001 0.000 0.287 549 H C 0.954 176.267 175.328 -0.026 0.000 1.112 549 H CA 1.432 57.464 56.048 -0.027 0.000 1.200 549 H CB -0.641 29.097 29.762 -0.040 0.000 1.349 549 H HN 0.142 nan 8.280 nan 0.000 0.477 550 A N 0.442 123.328 122.820 0.111 0.000 2.407 550 A HA 0.372 4.692 4.320 0.001 0.000 0.248 550 A C 1.705 179.306 177.584 0.028 0.000 1.082 550 A CA 0.340 52.405 52.037 0.046 0.000 0.785 550 A CB 0.265 19.283 19.000 0.030 0.000 1.020 550 A HN 0.450 nan 8.150 nan 0.000 0.489 551 G N -0.095 108.713 108.800 0.013 0.000 3.141 551 G HA2 0.424 4.385 3.960 0.001 0.000 0.218 551 G HA3 0.424 4.385 3.960 0.001 0.000 0.218 551 G C 0.095 175.001 174.900 0.010 0.000 1.170 551 G CA 0.846 45.951 45.100 0.008 0.000 0.769 551 G HN 0.914 nan 8.290 nan 0.000 0.546 552 V N -1.337 118.586 119.914 0.015 0.000 3.285 552 V HA 0.375 4.496 4.120 0.001 0.000 0.293 552 V C -2.432 173.679 176.094 0.029 0.000 1.563 552 V CA -1.459 60.852 62.300 0.018 0.000 1.058 552 V CB 2.244 34.073 31.823 0.010 0.000 1.142 552 V HN -0.045 nan 8.190 nan 0.000 0.470 553 P HA 0.461 nan 4.420 nan 0.000 0.271 553 P C -1.358 175.960 177.300 0.030 0.000 1.244 553 P CA 0.121 63.246 63.100 0.042 0.000 0.793 553 P CB 0.346 32.066 31.700 0.034 0.000 0.984 554 L N -0.048 121.195 121.223 0.033 0.000 2.409 554 L HA 0.576 4.916 4.340 0.001 0.000 0.255 554 L C -0.397 176.485 176.870 0.019 0.000 1.027 554 L CA -1.018 53.832 54.840 0.017 0.000 0.834 554 L CB 1.976 44.037 42.059 0.003 0.000 1.426 554 L HN 0.076 nan 8.230 nan 0.000 0.411 555 K N 2.510 122.918 120.400 0.013 0.000 2.426 555 K HA 0.682 5.003 4.320 0.001 0.000 0.254 555 K C -1.352 175.254 176.600 0.010 0.000 0.936 555 K CA -0.538 55.758 56.287 0.015 0.000 0.801 555 K CB 2.607 35.117 32.500 0.017 0.000 1.139 555 K HN 0.329 nan 8.250 nan 0.000 0.424 556 I N 1.162 121.739 120.570 0.010 0.000 2.686 556 I HA 0.287 4.458 4.170 0.001 0.000 0.295 556 I C 0.413 176.538 176.117 0.013 0.000 1.114 556 I CA -0.700 60.605 61.300 0.007 0.000 1.038 556 I CB 2.005 40.004 38.000 -0.002 0.000 1.238 556 I HN 0.366 nan 8.210 nan 0.000 0.420 557 S N 5.409 121.117 115.700 0.013 0.000 2.632 557 S HA 0.462 4.932 4.470 0.001 0.000 0.267 557 S C -2.205 172.413 174.600 0.031 0.000 1.276 557 S CA -0.712 57.499 58.200 0.018 0.000 0.998 557 S CB 0.442 63.647 63.200 0.009 0.000 0.953 557 S HN 0.453 nan 8.310 nan 0.000 0.547 558 P HA 0.205 nan 4.420 nan 0.000 0.272 558 P C -2.592 174.758 177.300 0.083 0.000 1.223 558 P CA -1.366 61.772 63.100 0.063 0.000 0.784 558 P CB -0.825 30.909 31.700 0.057 0.000 0.923 559 P HA -0.066 nan 4.420 nan 0.000 0.255 559 P C -0.563 176.841 177.300 0.173 0.000 1.161 559 P CA 0.634 63.859 63.100 0.208 0.000 0.768 559 P CB 0.102 32.064 31.700 0.437 0.000 0.746 560 V N 5.207 125.204 119.914 0.138 0.000 2.459 560 V HA 0.200 4.320 4.120 0.001 0.000 0.295 560 V C 0.712 176.875 176.094 0.116 0.000 1.029 560 V CA -0.872 61.497 62.300 0.116 0.000 0.874 560 V CB 2.059 33.940 31.823 0.097 0.000 0.985 560 V HN 0.304 nan 8.190 nan 0.000 0.438 561 V N 3.606 123.561 119.914 0.070 0.000 2.607 561 V HA 0.609 4.729 4.120 0.001 0.000 0.289 561 V C 0.672 176.688 176.094 -0.130 0.000 1.053 561 V CA -0.326 61.935 62.300 -0.065 0.000 0.996 561 V CB 1.590 33.270 31.823 -0.238 0.000 0.995 561 V HN 1.016 nan 8.190 nan 0.000 0.476 562 A N 4.450 127.210 122.820 -0.099 0.000 2.301 562 A HA 0.722 5.043 4.320 0.001 0.000 0.298 562 A C -0.912 176.685 177.584 0.022 0.000 1.185 562 A CA -0.235 51.814 52.037 0.020 0.000 0.830 562 A CB 0.161 19.219 19.000 0.096 0.000 1.112 562 A HN 0.720 nan 8.150 nan 0.000 0.508 563 Y N 1.021 121.446 120.300 0.208 0.000 2.719 563 Y HA 0.791 5.341 4.550 0.001 0.000 0.335 563 Y C 0.580 176.444 175.900 -0.061 0.000 1.198 563 Y CA -0.553 57.697 58.100 0.249 0.000 1.274 563 Y CB 1.123 39.782 38.460 0.332 0.000 1.500 563 Y HN 0.639 nan 8.280 nan 0.000 0.616 564 R N 0.086 120.633 120.500 0.077 0.000 2.651 564 R HA 0.340 4.680 4.340 0.001 0.000 0.278 564 R C -1.769 174.520 176.300 -0.018 0.000 1.010 564 R CA -0.896 55.073 56.100 -0.219 0.000 0.896 564 R CB 1.662 31.585 30.300 -0.629 0.000 1.211 564 R HN 0.567 nan 8.270 nan 0.000 0.456 565 E N 0.846 121.016 120.200 -0.049 0.000 2.156 565 E HA 0.434 4.785 4.350 0.001 0.000 0.279 565 E C -0.633 176.089 176.600 0.204 0.000 0.965 565 E CA -0.371 56.093 56.400 0.107 0.000 0.789 565 E CB 2.121 31.788 29.700 -0.056 0.000 1.098 565 E HN 0.401 nan 8.360 nan 0.000 0.397 566 T N 0.942 115.675 114.554 0.298 0.000 2.812 566 T HA 0.548 4.899 4.350 0.001 0.000 0.294 566 T C -1.299 173.402 174.700 0.001 0.000 1.159 566 T CA -0.671 61.558 62.100 0.214 0.000 1.008 566 T CB 1.497 70.406 68.868 0.068 0.000 1.289 566 T HN 0.265 nan 8.240 nan 0.000 0.514 567 V N 0.795 120.643 119.914 -0.111 0.000 2.815 567 V HA 0.804 4.925 4.120 0.001 0.000 0.314 567 V C 0.348 176.365 176.094 -0.128 0.000 1.064 567 V CA -0.611 61.525 62.300 -0.273 0.000 0.952 567 V CB 1.724 33.337 31.823 -0.350 0.000 1.020 567 V HN 0.927 nan 8.190 nan 0.000 0.439 568 E N 1.445 121.565 120.200 -0.132 0.000 2.489 568 E HA 0.310 4.661 4.350 0.001 0.000 0.204 568 E C 0.520 177.078 176.600 -0.071 0.000 1.006 568 E CA 0.799 57.153 56.400 -0.076 0.000 0.936 568 E CB 0.546 30.206 29.700 -0.066 0.000 1.002 568 E HN 1.130 nan 8.360 nan 0.000 0.488 569 S N -1.920 113.722 115.700 -0.096 0.000 2.757 569 S HA 0.329 4.799 4.470 0.001 0.000 0.285 569 S C -0.643 173.900 174.600 -0.095 0.000 1.196 569 S CA -1.116 57.034 58.200 -0.083 0.000 0.856 569 S CB 1.111 64.264 63.200 -0.079 0.000 1.212 569 S HN 0.066 nan 8.310 nan 0.000 0.516 570 E N 0.610 120.758 120.200 -0.086 0.000 2.349 570 E HA 0.484 4.835 4.350 0.001 0.000 0.262 570 E C -0.628 175.909 176.600 -0.105 0.000 1.088 570 E CA -0.523 55.825 56.400 -0.086 0.000 0.899 570 E CB 0.851 30.505 29.700 -0.077 0.000 1.044 570 E HN 0.575 nan 8.360 nan 0.000 0.420 571 S N 1.774 117.413 115.700 -0.102 0.000 2.549 571 S HA -0.039 4.432 4.470 0.001 0.000 0.286 571 S C 1.129 175.641 174.600 -0.146 0.000 1.314 571 S CA -0.189 57.933 58.200 -0.131 0.000 1.062 571 S CB 1.109 64.248 63.200 -0.103 0.000 0.865 571 S HN 0.580 nan 8.310 nan 0.000 0.498 572 S N 2.375 117.958 115.700 -0.195 0.000 2.380 572 S HA -0.196 4.274 4.470 0.001 0.000 0.229 572 S C 0.783 175.279 174.600 -0.173 0.000 1.043 572 S CA 1.477 59.563 58.200 -0.190 0.000 1.038 572 S CB -0.347 62.699 63.200 -0.256 0.000 0.872 572 S HN 0.910 nan 8.310 nan 0.000 0.456 573 Q N -1.099 118.577 119.800 -0.208 0.000 2.522 573 Q HA 0.453 4.793 4.340 0.001 0.000 0.285 573 Q C -1.501 174.449 176.000 -0.082 0.000 0.982 573 Q CA -0.907 54.813 55.803 -0.139 0.000 0.805 573 Q CB 0.708 29.349 28.738 -0.162 0.000 1.457 573 Q HN -0.092 nan 8.270 nan 0.000 0.394 574 T N 1.455 116.016 114.554 0.012 0.000 2.905 574 T HA 0.305 4.655 4.350 0.001 0.000 0.299 574 T C -0.022 174.791 174.700 0.187 0.000 1.024 574 T CA 0.660 62.814 62.100 0.091 0.000 1.151 574 T CB 0.194 69.151 68.868 0.149 0.000 0.987 574 T HN 0.595 nan 8.240 nan 0.000 0.535 575 A N 3.350 126.266 122.820 0.160 0.000 2.309 575 A HA 0.712 5.033 4.320 0.001 0.000 0.298 575 A C -0.439 177.152 177.584 0.011 0.000 1.165 575 A CA -0.696 51.474 52.037 0.222 0.000 0.821 575 A CB 0.492 19.602 19.000 0.184 0.000 1.102 575 A HN 0.734 nan 8.150 nan 0.000 0.500 576 L N 1.570 122.612 121.223 -0.301 0.000 2.371 576 L HA 0.896 5.237 4.340 0.001 0.000 0.262 576 L C -0.410 176.106 176.870 -0.590 0.000 1.006 576 L CA 0.146 54.608 54.840 -0.630 0.000 0.818 576 L CB 2.346 43.896 42.059 -0.847 0.000 1.354 576 L HN 0.610 nan 8.230 nan 0.000 0.415 577 S N 1.398 116.837 115.700 -0.435 0.000 2.537 577 S HA 0.689 5.160 4.470 0.001 0.000 0.271 577 S C -1.824 172.644 174.600 -0.221 0.000 1.148 577 S CA -0.919 57.130 58.200 -0.253 0.000 0.868 577 S CB 1.771 64.906 63.200 -0.108 0.000 1.115 577 S HN 0.759 nan 8.310 nan 0.000 0.461 578 K N -0.076 120.236 120.400 -0.148 0.000 2.385 578 K HA 0.777 5.097 4.320 0.001 0.000 0.248 578 K C 0.001 176.569 176.600 -0.052 0.000 0.955 578 K CA -0.791 55.434 56.287 -0.103 0.000 0.816 578 K CB 1.475 33.912 32.500 -0.105 0.000 1.250 578 K HN 0.545 nan 8.250 nan 0.000 0.434 579 S N 0.735 116.422 115.700 -0.021 0.000 2.598 579 S HA 0.087 4.558 4.470 0.001 0.000 0.256 579 S C -1.765 172.836 174.600 0.001 0.000 1.350 579 S CA -0.767 57.433 58.200 0.000 0.000 0.984 579 S CB 0.148 63.365 63.200 0.029 0.000 0.930 579 S HN 0.546 nan 8.310 nan 0.000 0.577 580 P HA 0.022 nan 4.420 nan 0.000 0.220 580 P C 1.087 178.407 177.300 0.033 0.000 1.152 580 P CA 0.688 63.793 63.100 0.007 0.000 0.812 580 P CB -0.096 31.605 31.700 0.001 0.000 0.792 581 N N 0.527 119.271 118.700 0.072 0.000 2.060 581 N HA -0.190 4.551 4.740 0.001 0.000 0.195 581 N C 0.501 176.099 175.510 0.147 0.000 1.028 581 N CA 1.336 54.496 53.050 0.183 0.000 0.861 581 N CB -0.453 38.208 38.487 0.290 0.000 1.029 581 N HN 0.180 nan 8.380 nan 0.000 0.428 582 K N -1.906 118.510 120.400 0.025 0.000 3.368 582 K HA -0.131 4.189 4.320 0.001 0.000 0.287 582 K C -0.340 176.065 176.600 -0.324 0.000 1.316 582 K CA 0.359 56.571 56.287 -0.125 0.000 0.841 582 K CB -1.742 30.671 32.500 -0.145 0.000 1.492 582 K HN 0.483 nan 8.250 nan 0.000 0.511 583 H N -0.538 118.567 119.070 0.058 0.000 3.058 583 H HA 0.153 4.709 4.556 0.001 0.000 0.258 583 H C 0.031 175.410 175.328 0.085 0.000 1.015 583 H CA 0.097 56.202 56.048 0.096 0.000 1.210 583 H CB 0.664 30.553 29.762 0.211 0.000 1.481 583 H HN 0.284 nan 8.280 nan 0.000 0.492 584 N N 1.087 119.865 118.700 0.130 0.000 2.321 584 N HA 0.455 5.195 4.740 0.001 0.000 0.299 584 N C -0.696 174.834 175.510 0.033 0.000 1.048 584 N CA -0.491 52.618 53.050 0.099 0.000 0.836 584 N CB 2.112 40.658 38.487 0.098 0.000 1.269 584 N HN -0.034 nan 8.380 nan 0.000 0.486 585 R N 1.430 121.955 120.500 0.042 0.000 2.750 585 R HA 0.619 4.959 4.340 0.001 0.000 0.281 585 R C -1.028 175.266 176.300 -0.011 0.000 0.972 585 R CA -0.677 55.396 56.100 -0.045 0.000 0.912 585 R CB 2.125 32.400 30.300 -0.040 0.000 1.187 585 R HN 0.436 nan 8.270 nan 0.000 0.464 586 I N 2.692 123.171 120.570 -0.151 0.000 2.468 586 I HA 0.310 4.480 4.170 0.001 0.000 0.285 586 I C -1.225 174.788 176.117 -0.174 0.000 1.039 586 I CA -0.704 60.568 61.300 -0.048 0.000 1.074 586 I CB 1.520 39.510 38.000 -0.016 0.000 1.228 586 I HN 0.499 nan 8.210 nan 0.000 0.436 587 Y N 7.238 127.517 120.300 -0.035 0.000 2.331 587 Y HA 0.679 5.230 4.550 0.001 0.000 0.338 587 Y C -0.221 175.658 175.900 -0.035 0.000 0.992 587 Y CA -0.945 57.136 58.100 -0.033 0.000 1.121 587 Y CB 1.643 40.084 38.460 -0.031 0.000 1.184 587 Y HN 0.397 nan 8.280 nan 0.000 0.469 588 L N 0.533 121.818 121.223 0.105 0.000 2.671 588 L HA 0.757 5.097 4.340 0.001 0.000 0.259 588 L C -1.627 175.272 176.870 0.048 0.000 1.021 588 L CA -1.364 53.507 54.840 0.051 0.000 0.871 588 L CB 2.269 44.345 42.059 0.028 0.000 1.472 588 L HN 0.459 nan 8.230 nan 0.000 0.410 589 K N 0.625 121.034 120.400 0.016 0.000 2.435 589 K HA 0.952 5.273 4.320 0.001 0.000 0.251 589 K C -1.544 175.057 176.600 0.003 0.000 0.954 589 K CA -0.561 55.729 56.287 0.005 0.000 0.820 589 K CB 2.373 34.861 32.500 -0.020 0.000 1.292 589 K HN 1.103 nan 8.250 nan 0.000 0.436 590 A N 2.364 125.187 122.820 0.004 0.000 2.365 590 A HA 0.581 4.902 4.320 0.001 0.000 0.318 590 A C -1.249 176.321 177.584 -0.023 0.000 1.091 590 A CA -0.598 51.451 52.037 0.020 0.000 0.763 590 A CB 0.994 20.040 19.000 0.076 0.000 1.248 590 A HN 0.836 nan 8.150 nan 0.000 0.442 591 E N 1.303 121.495 120.200 -0.013 0.000 2.433 591 E HA 0.711 5.062 4.350 0.001 0.000 0.273 591 E C -3.115 173.485 176.600 -0.002 0.000 0.950 591 E CA -2.306 54.074 56.400 -0.034 0.000 0.796 591 E CB 1.743 31.410 29.700 -0.055 0.000 1.330 591 E HN 0.285 nan 8.360 nan 0.000 0.455 592 P HA 0.266 nan 4.420 nan 0.000 0.277 592 P C -0.713 176.626 177.300 0.066 0.000 1.240 592 P CA -0.213 62.901 63.100 0.024 0.000 0.798 592 P CB 0.606 32.309 31.700 0.004 0.000 0.979 593 I N 1.664 122.293 120.570 0.098 0.000 2.460 593 I HA 0.246 4.417 4.170 0.001 0.000 0.298 593 I C 0.276 176.469 176.117 0.127 0.000 0.989 593 I CA -0.829 60.562 61.300 0.152 0.000 1.173 593 I CB 1.118 39.213 38.000 0.159 0.000 1.338 593 I HN 0.150 nan 8.210 nan 0.000 0.456 594 D N 5.689 126.184 120.400 0.159 0.000 2.390 594 D HA -0.010 4.631 4.640 0.001 0.000 0.249 594 D C 1.009 177.376 176.300 0.112 0.000 1.144 594 D CA -0.075 54.005 54.000 0.133 0.000 0.880 594 D CB 1.429 42.330 40.800 0.169 0.000 1.182 594 D HN 0.498 nan 8.370 nan 0.000 0.451 595 E N 2.117 122.378 120.200 0.102 0.000 2.169 595 E HA -0.246 4.105 4.350 0.001 0.000 0.202 595 E C 1.436 178.097 176.600 0.103 0.000 1.016 595 E CA 1.311 57.772 56.400 0.103 0.000 0.817 595 E CB 0.194 29.958 29.700 0.106 0.000 0.736 595 E HN 0.555 nan 8.360 nan 0.000 0.462 596 E N -0.217 120.056 120.200 0.121 0.000 2.070 596 E HA -0.178 4.173 4.350 0.001 0.000 0.197 596 E C 2.222 178.843 176.600 0.035 0.000 1.004 596 E CA 1.709 58.197 56.400 0.146 0.000 0.805 596 E CB -0.052 29.801 29.700 0.254 0.000 0.744 596 E HN 0.143 nan 8.360 nan 0.000 0.451 597 V N 0.946 120.840 119.914 -0.034 0.000 2.427 597 V HA -0.218 3.903 4.120 0.001 0.000 0.248 597 V C 2.326 178.348 176.094 -0.121 0.000 1.051 597 V CA 1.684 63.841 62.300 -0.239 0.000 1.048 597 V CB -0.498 31.237 31.823 -0.146 0.000 0.666 597 V HN 0.149 nan 8.190 nan 0.000 0.456 598 S N 0.555 116.253 115.700 -0.003 0.000 2.351 598 S HA -0.150 4.320 4.470 0.001 0.000 0.220 598 S C 1.936 176.565 174.600 0.048 0.000 1.035 598 S CA 1.492 59.716 58.200 0.040 0.000 1.031 598 S CB -0.434 62.809 63.200 0.072 0.000 0.928 598 S HN 0.333 nan 8.310 nan 0.000 0.433 599 L N 1.933 123.198 121.223 0.068 0.000 1.990 599 L HA -0.144 4.196 4.340 0.001 0.000 0.213 599 L C 2.748 179.643 176.870 0.041 0.000 1.072 599 L CA 1.944 56.836 54.840 0.087 0.000 0.755 599 L CB -1.847 40.273 42.059 0.101 0.000 0.889 599 L HN 0.319 nan 8.230 nan 0.000 0.432 600 A N -0.247 122.561 122.820 -0.021 0.000 1.915 600 A HA -0.275 4.046 4.320 0.001 0.000 0.220 600 A C 2.346 179.893 177.584 -0.062 0.000 1.198 600 A CA 2.490 54.476 52.037 -0.085 0.000 0.647 600 A CB -0.928 17.832 19.000 -0.400 0.000 0.825 600 A HN 0.450 nan 8.150 nan 0.000 0.456 601 I N -1.082 119.454 120.570 -0.057 0.000 2.315 601 I HA -0.224 3.946 4.170 0.001 0.000 0.248 601 I C 2.471 178.586 176.117 -0.005 0.000 1.117 601 I CA 1.606 62.898 61.300 -0.014 0.000 1.404 601 I CB -0.505 37.539 38.000 0.073 0.000 1.071 601 I HN 0.431 nan 8.210 nan 0.000 0.419 602 E N 0.798 121.018 120.200 0.035 0.000 2.150 602 E HA -0.123 4.228 4.350 0.001 0.000 0.193 602 E C 0.910 177.544 176.600 0.057 0.000 0.985 602 E CA 0.716 57.152 56.400 0.060 0.000 0.814 602 E CB 0.034 29.805 29.700 0.118 0.000 0.752 602 E HN 0.425 nan 8.360 nan 0.000 0.466 603 N N -0.308 118.424 118.700 0.054 0.000 2.327 603 N HA 0.065 4.805 4.740 0.001 0.000 0.231 603 N C 0.616 176.156 175.510 0.050 0.000 1.130 603 N CA 0.709 53.798 53.050 0.064 0.000 0.845 603 N CB 1.216 39.748 38.487 0.075 0.000 1.073 603 N HN 0.241 nan 8.380 nan 0.000 0.496 604 G N 0.903 109.716 108.800 0.021 0.000 2.220 604 G HA2 -0.316 3.644 3.960 0.001 0.000 0.269 604 G HA3 -0.316 3.644 3.960 0.001 0.000 0.269 604 G C 1.125 176.027 174.900 0.003 0.000 0.977 604 G CA 0.426 45.532 45.100 0.010 0.000 0.634 604 G HN 0.332 nan 8.290 nan 0.000 0.539 605 I N 0.878 121.455 120.570 0.011 0.000 2.142 605 I HA -0.024 4.146 4.170 0.001 0.000 0.240 605 I C 1.695 177.813 176.117 0.001 0.000 1.078 605 I CA 1.125 62.441 61.300 0.026 0.000 1.343 605 I CB -0.984 37.056 38.000 0.067 0.000 1.046 605 I HN 0.141 nan 8.210 nan 0.000 0.405 606 I N 3.222 123.764 120.570 -0.046 0.000 2.294 606 I HA 0.128 4.298 4.170 0.001 0.000 0.295 606 I C 0.214 176.288 176.117 -0.073 0.000 1.098 606 I CA 0.068 61.342 61.300 -0.042 0.000 1.277 606 I CB -0.409 37.543 38.000 -0.079 0.000 1.434 606 I HN 0.224 nan 8.210 nan 0.000 0.498 607 N N 8.834 127.490 118.700 -0.073 0.000 2.392 607 N HA 0.321 5.062 4.740 0.001 0.000 0.283 607 N C -2.075 173.296 175.510 -0.233 0.000 1.003 607 N CA -1.796 51.144 53.050 -0.183 0.000 0.892 607 N CB 2.853 41.291 38.487 -0.082 0.000 1.193 607 N HN 0.071 nan 8.380 nan 0.000 0.487 608 P HA -0.119 nan 4.420 nan 0.000 0.216 608 P C 0.525 177.786 177.300 -0.066 0.000 1.154 608 P CA 1.652 64.475 63.100 -0.462 0.000 0.865 608 P CB 0.307 31.656 31.700 -0.585 0.000 0.789 609 R N -1.537 118.919 120.500 -0.073 0.000 2.313 609 R HA 0.065 4.405 4.340 0.001 0.000 0.199 609 R C 0.486 176.807 176.300 0.034 0.000 0.958 609 R CA 0.019 56.118 56.100 -0.002 0.000 1.047 609 R CB -0.464 29.828 30.300 -0.013 0.000 0.955 609 R HN 0.286 nan 8.270 nan 0.000 0.481 610 D N 1.185 121.607 120.400 0.037 0.000 2.349 610 D HA -0.071 4.569 4.640 0.001 0.000 0.239 610 D C -0.187 176.165 176.300 0.087 0.000 1.315 610 D CA 0.171 54.203 54.000 0.052 0.000 0.937 610 D CB 0.293 41.123 40.800 0.049 0.000 1.133 610 D HN 0.007 nan 8.370 nan 0.000 0.489 611 D N -1.051 119.383 120.400 0.056 0.000 2.312 611 D HA 0.063 4.704 4.640 0.001 0.000 0.252 611 D C 1.125 177.454 176.300 0.049 0.000 1.150 611 D CA -0.534 53.492 54.000 0.043 0.000 0.870 611 D CB 0.239 41.005 40.800 -0.056 0.000 1.153 611 D HN 0.329 nan 8.370 nan 0.000 0.457 612 F N 3.072 123.057 119.950 0.059 0.000 2.192 612 F HA -0.139 4.389 4.527 0.001 0.000 0.301 612 F C 1.576 177.414 175.800 0.063 0.000 1.079 612 F CA 0.807 58.850 58.000 0.071 0.000 1.303 612 F CB -0.431 38.615 39.000 0.077 0.000 1.024 612 F HN 0.242 nan 8.300 nan 0.000 0.494 613 K N 1.082 121.043 120.400 -0.733 0.000 2.001 613 K HA 0.003 4.324 4.320 0.001 0.000 0.208 613 K C 2.569 179.067 176.600 -0.170 0.000 1.048 613 K CA 1.155 57.148 56.287 -0.489 0.000 0.932 613 K CB -0.629 31.493 32.500 -0.629 0.000 0.715 613 K HN 0.369 nan 8.250 nan 0.000 0.437 614 A N 1.846 124.582 122.820 -0.139 0.000 1.883 614 A HA -0.209 4.112 4.320 0.001 0.000 0.217 614 A C 2.141 179.724 177.584 -0.002 0.000 1.186 614 A CA 1.608 53.614 52.037 -0.053 0.000 0.624 614 A CB -0.549 18.427 19.000 -0.041 0.000 0.822 614 A HN 0.249 nan 8.150 nan 0.000 0.444 615 R N -0.395 120.116 120.500 0.018 0.000 2.120 615 R HA -0.108 4.233 4.340 0.001 0.000 0.234 615 R C 2.236 178.566 176.300 0.049 0.000 1.123 615 R CA 1.388 57.517 56.100 0.048 0.000 0.975 615 R CB -0.385 29.967 30.300 0.086 0.000 0.866 615 R HN 0.461 nan 8.270 nan 0.000 0.446 616 A N 1.058 123.915 122.820 0.062 0.000 1.858 616 A HA -0.191 4.130 4.320 0.001 0.000 0.216 616 A C 2.146 179.784 177.584 0.090 0.000 1.190 616 A CA 1.471 53.565 52.037 0.094 0.000 0.617 616 A CB -0.564 18.508 19.000 0.119 0.000 0.827 616 A HN 0.276 nan 8.150 nan 0.000 0.443 617 R N 0.214 120.747 120.500 0.055 0.000 2.112 617 R HA -0.146 4.195 4.340 0.001 0.000 0.242 617 R C 1.869 178.212 176.300 0.071 0.000 1.137 617 R CA 2.171 58.301 56.100 0.050 0.000 0.944 617 R CB -0.921 29.389 30.300 0.017 0.000 0.857 617 R HN 0.610 nan 8.270 nan 0.000 0.435 618 I N -0.259 120.355 120.570 0.072 0.000 2.151 618 I HA -0.375 3.796 4.170 0.001 0.000 0.243 618 I C 2.463 178.700 176.117 0.200 0.000 1.080 618 I CA 1.815 63.182 61.300 0.112 0.000 1.339 618 I CB -0.299 37.773 38.000 0.121 0.000 1.039 618 I HN 0.273 nan 8.210 nan 0.000 0.409 619 M N 0.061 119.759 119.600 0.163 0.000 2.132 619 M HA -0.181 4.299 4.480 0.001 0.000 0.263 619 M C 2.561 179.037 176.300 0.294 0.000 1.065 619 M CA 1.890 57.298 55.300 0.181 0.000 1.122 619 M CB -0.440 32.070 32.600 -0.150 0.000 1.365 619 M HN 0.352 nan 8.290 nan 0.000 0.411 620 A N 0.902 123.864 122.820 0.237 0.000 1.841 620 A HA -0.218 4.103 4.320 0.001 0.000 0.216 620 A C 1.618 179.297 177.584 0.159 0.000 1.199 620 A CA 2.244 54.416 52.037 0.225 0.000 0.621 620 A CB -0.996 18.097 19.000 0.156 0.000 0.835 620 A HN 0.389 nan 8.150 nan 0.000 0.445 621 D N 0.563 121.021 120.400 0.096 0.000 2.173 621 D HA -0.137 4.504 4.640 0.001 0.000 0.205 621 D C 1.307 177.589 176.300 -0.030 0.000 1.002 621 D CA 1.609 55.628 54.000 0.031 0.000 0.881 621 D CB -0.740 40.066 40.800 0.009 0.000 1.062 621 D HN 0.439 nan 8.370 nan 0.000 0.459 622 D N -0.997 119.324 120.400 -0.132 0.000 2.378 622 D HA -0.117 4.524 4.640 0.001 0.000 0.222 622 D C 0.727 176.610 176.300 -0.695 0.000 0.980 622 D CA 0.696 54.427 54.000 -0.450 0.000 0.907 622 D CB -0.011 40.382 40.800 -0.679 0.000 0.899 622 D HN 0.427 nan 8.370 nan 0.000 0.527 623 Y N -0.808 119.548 120.300 0.093 0.000 2.672 623 Y HA 0.324 4.875 4.550 0.001 0.000 0.252 623 Y C 1.266 177.307 175.900 0.235 0.000 1.132 623 Y CA -0.502 57.683 58.100 0.142 0.000 1.228 623 Y CB 0.694 39.216 38.460 0.103 0.000 1.310 623 Y HN -0.096 nan 8.280 nan 0.000 0.549 624 G N 0.714 109.675 108.800 0.269 0.000 2.367 624 G HA2 -0.303 3.658 3.960 0.001 0.000 0.295 624 G HA3 -0.303 3.658 3.960 0.001 0.000 0.295 624 G C -0.672 174.398 174.900 0.283 0.000 1.019 624 G CA -0.087 45.143 45.100 0.217 0.000 1.224 624 G HN 0.324 nan 8.290 nan 0.000 0.510 625 W N -0.010 121.340 121.300 0.083 0.000 2.761 625 W HA 0.541 5.202 4.660 0.001 0.000 0.340 625 W C -0.223 176.323 176.519 0.046 0.000 1.072 625 W CA -0.882 56.503 57.345 0.066 0.000 1.215 625 W CB 1.386 30.897 29.460 0.085 0.000 1.420 625 W HN 0.179 nan 8.180 nan 0.000 0.519 626 D N 2.082 122.516 120.400 0.057 0.000 2.371 626 D HA -0.011 4.630 4.640 0.001 0.000 0.256 626 D C 1.237 177.632 176.300 0.158 0.000 1.193 626 D CA 0.250 54.284 54.000 0.057 0.000 0.881 626 D CB 1.774 42.550 40.800 -0.041 0.000 1.143 626 D HN 0.201 nan 8.370 nan 0.000 0.473 627 V N 3.467 123.468 119.914 0.145 0.000 2.546 627 V HA -0.285 3.835 4.120 0.001 0.000 0.254 627 V C 2.011 178.196 176.094 0.151 0.000 1.076 627 V CA 2.078 64.472 62.300 0.157 0.000 1.087 627 V CB -0.194 31.694 31.823 0.108 0.000 0.674 627 V HN 0.647 nan 8.190 nan 0.000 0.470 628 T N -0.417 114.200 114.554 0.106 0.000 2.643 628 T HA -0.166 4.185 4.350 0.001 0.000 0.264 628 T C 1.601 176.363 174.700 0.103 0.000 1.045 628 T CA 1.721 63.873 62.100 0.086 0.000 1.155 628 T CB -0.367 68.524 68.868 0.038 0.000 0.863 628 T HN 0.552 nan 8.240 nan 0.000 0.420 629 D N 1.385 121.836 120.400 0.085 0.000 2.087 629 D HA -0.080 4.561 4.640 0.001 0.000 0.192 629 D C 2.373 178.835 176.300 0.269 0.000 0.993 629 D CA 1.471 55.529 54.000 0.097 0.000 0.828 629 D CB -0.683 40.087 40.800 -0.050 0.000 0.968 629 D HN 0.371 nan 8.370 nan 0.000 0.448 630 A N 0.920 124.016 122.820 0.461 0.000 2.042 630 A HA -0.230 4.090 4.320 0.001 0.000 0.222 630 A C 2.070 179.807 177.584 0.253 0.000 1.167 630 A CA 1.440 53.727 52.037 0.415 0.000 0.649 630 A CB -0.539 18.691 19.000 0.383 0.000 0.809 630 A HN 0.192 nan 8.150 nan 0.000 0.457 631 R N -0.985 119.666 120.500 0.251 0.000 2.299 631 R HA 0.052 4.392 4.340 0.001 0.000 0.197 631 R C 0.589 177.018 176.300 0.215 0.000 0.971 631 R CA 0.558 56.845 56.100 0.312 0.000 1.030 631 R CB 0.096 30.587 30.300 0.319 0.000 0.932 631 R HN 0.222 nan 8.270 nan 0.000 0.477 632 K N 0.769 121.261 120.400 0.154 0.000 2.437 632 K HA 0.228 4.548 4.320 0.001 0.000 0.205 632 K C 0.233 176.896 176.600 0.106 0.000 1.026 632 K CA -0.053 56.291 56.287 0.094 0.000 1.153 632 K CB 0.533 33.042 32.500 0.015 0.000 0.863 632 K HN 0.146 nan 8.250 nan 0.000 0.502 633 I N 0.903 121.547 120.570 0.124 0.000 2.668 633 I HA -0.153 4.017 4.170 0.001 0.000 0.285 633 I C 0.909 177.150 176.117 0.206 0.000 1.168 633 I CA 0.100 61.441 61.300 0.068 0.000 1.424 633 I CB 0.376 38.346 38.000 -0.050 0.000 1.377 633 I HN 0.145 nan 8.210 nan 0.000 0.560 634 W N 6.291 127.514 121.300 -0.128 0.000 2.588 634 W HA 0.130 4.790 4.660 0.001 0.000 0.277 634 W C 0.735 177.215 176.519 -0.065 0.000 1.221 634 W CA -0.175 57.112 57.345 -0.097 0.000 1.355 634 W CB 0.041 29.435 29.460 -0.111 0.000 1.083 634 W HN 0.687 nan 8.180 nan 0.000 0.581 635 C N -3.060 116.295 119.300 0.091 0.000 3.253 635 C HA 0.599 5.060 4.460 0.001 0.000 0.342 635 C C -0.683 174.355 174.990 0.080 0.000 1.306 635 C CA -1.834 57.264 59.018 0.132 0.000 1.207 635 C CB 0.149 27.995 27.740 0.176 0.000 1.479 635 C HN -0.068 nan 8.230 nan 0.000 0.469 636 F N 0.917 120.959 119.950 0.152 0.000 2.518 636 F HA 0.900 5.427 4.527 0.001 0.000 0.338 636 F C 1.089 177.036 175.800 0.245 0.000 1.065 636 F CA 0.784 58.893 58.000 0.183 0.000 1.012 636 F CB 2.420 41.467 39.000 0.078 0.000 1.297 636 F HN 1.229 nan 8.300 nan 0.000 0.489 637 G N 0.759 109.796 108.800 0.395 0.000 2.579 637 G HA2 0.534 4.495 3.960 0.001 0.000 0.292 637 G HA3 0.534 4.495 3.960 0.001 0.000 0.292 637 G C -3.400 171.477 174.900 -0.038 0.000 1.484 637 G CA -1.172 43.986 45.100 0.097 0.000 0.813 637 G HN 0.218 nan 8.290 nan 0.000 0.515 638 P HA 0.290 nan 4.420 nan 0.000 0.297 638 P C -0.401 176.812 177.300 -0.145 0.000 1.303 638 P CA -0.149 62.828 63.100 -0.206 0.000 0.753 638 P CB 0.438 31.973 31.700 -0.276 0.000 1.281 639 D N -1.506 118.775 120.400 -0.199 0.000 2.792 639 D HA -0.208 4.433 4.640 0.001 0.000 0.231 639 D C 1.083 177.329 176.300 -0.089 0.000 1.160 639 D CA 1.677 55.579 54.000 -0.164 0.000 0.697 639 D CB -1.761 38.939 40.800 -0.167 0.000 1.070 639 D HN 0.839 nan 8.370 nan 0.000 0.426 640 G N 1.026 109.805 108.800 -0.036 0.000 2.228 640 G HA2 -0.411 3.549 3.960 0.001 0.000 0.270 640 G HA3 -0.411 3.549 3.960 0.001 0.000 0.270 640 G C 0.604 175.535 174.900 0.051 0.000 0.976 640 G CA 1.245 46.365 45.100 0.035 0.000 0.636 640 G HN 0.713 nan 8.290 nan 0.000 0.542 641 N N -0.621 118.080 118.700 0.003 0.000 2.193 641 N HA 0.394 5.135 4.740 0.001 0.000 0.236 641 N C 0.883 176.385 175.510 -0.014 0.000 1.347 641 N CA 0.763 53.756 53.050 -0.094 0.000 0.812 641 N CB -0.249 38.129 38.487 -0.182 0.000 1.297 641 N HN 0.707 nan 8.380 nan 0.000 0.499 642 G N 1.063 109.907 108.800 0.074 0.000 2.684 642 G HA2 0.290 4.250 3.960 0.001 0.000 0.255 642 G HA3 0.290 4.250 3.960 0.001 0.000 0.255 642 G C -2.068 172.937 174.900 0.176 0.000 1.219 642 G CA -1.050 44.087 45.100 0.063 0.000 0.901 642 G HN 0.110 nan 8.290 nan 0.000 0.548 643 P HA 0.162 nan 4.420 nan 0.000 0.214 643 P C -1.080 176.302 177.300 0.136 0.000 1.807 643 P CA -0.238 62.945 63.100 0.138 0.000 0.921 643 P CB -0.295 31.449 31.700 0.072 0.000 1.835 644 N N 0.187 119.007 118.700 0.200 0.000 2.264 644 N HA 0.547 5.287 4.740 0.001 0.000 0.288 644 N C -0.901 174.771 175.510 0.271 0.000 1.094 644 N CA -0.631 52.564 53.050 0.243 0.000 0.817 644 N CB 1.899 40.534 38.487 0.247 0.000 1.604 644 N HN -0.059 nan 8.380 nan 0.000 0.473 645 L N 0.330 121.647 121.223 0.156 0.000 2.309 645 L HA 0.794 5.135 4.340 0.001 0.000 0.261 645 L C -0.975 175.692 176.870 -0.339 0.000 1.021 645 L CA -1.238 53.527 54.840 -0.126 0.000 0.823 645 L CB 2.105 44.057 42.059 -0.177 0.000 1.366 645 L HN 0.173 nan 8.230 nan 0.000 0.423 646 V N 2.910 122.544 119.914 -0.468 0.000 2.443 646 V HA 0.441 4.561 4.120 0.001 0.000 0.293 646 V C -0.462 175.483 176.094 -0.248 0.000 1.021 646 V CA -0.398 61.604 62.300 -0.496 0.000 0.848 646 V CB 1.866 33.327 31.823 -0.605 0.000 0.998 646 V HN 0.365 nan 8.190 nan 0.000 0.424 647 I N 3.362 123.800 120.570 -0.220 0.000 2.377 647 I HA 0.355 4.526 4.170 0.001 0.000 0.293 647 I C -0.034 175.871 176.117 -0.354 0.000 0.987 647 I CA -0.479 60.710 61.300 -0.185 0.000 1.185 647 I CB 1.789 39.746 38.000 -0.072 0.000 1.341 647 I HN 0.614 nan 8.210 nan 0.000 0.455 648 D N 5.851 125.955 120.400 -0.493 0.000 2.453 648 D HA 0.109 4.750 4.640 0.001 0.000 0.223 648 D C 0.320 176.410 176.300 -0.349 0.000 1.183 648 D CA 0.088 53.683 54.000 -0.676 0.000 0.933 648 D CB 0.507 40.700 40.800 -1.012 0.000 1.038 648 D HN 0.443 nan 8.370 nan 0.000 0.513 649 Q N 1.763 121.399 119.800 -0.274 0.000 2.222 649 Q HA 0.089 4.429 4.340 0.001 0.000 0.206 649 Q C 0.430 176.342 176.000 -0.147 0.000 0.877 649 Q CA -0.177 55.522 55.803 -0.173 0.000 0.958 649 Q CB 0.393 29.046 28.738 -0.142 0.000 1.075 649 Q HN 0.573 nan 8.270 nan 0.000 0.483 650 T N -0.746 113.705 114.554 -0.172 0.000 2.900 650 T HA 0.184 4.534 4.350 0.001 0.000 0.307 650 T C 0.081 174.732 174.700 -0.082 0.000 1.065 650 T CA -0.525 61.503 62.100 -0.119 0.000 1.105 650 T CB 0.982 69.783 68.868 -0.111 0.000 0.979 650 T HN -0.151 nan 8.240 nan 0.000 0.544 651 K N 1.579 121.939 120.400 -0.067 0.000 2.358 651 K HA 0.584 4.905 4.320 0.001 0.000 0.260 651 K C 0.345 176.920 176.600 -0.041 0.000 0.956 651 K CA -0.426 55.831 56.287 -0.050 0.000 0.834 651 K CB 1.327 33.794 32.500 -0.054 0.000 1.102 651 K HN 1.167 nan 8.250 nan 0.000 0.431 652 A N 1.713 124.517 122.820 -0.026 0.000 2.560 652 A HA -0.147 4.173 4.320 0.001 0.000 0.299 652 A C -0.035 177.533 177.584 -0.027 0.000 1.484 652 A CA 0.459 52.482 52.037 -0.024 0.000 0.749 652 A CB -1.908 17.073 19.000 -0.031 0.000 1.072 652 A HN 0.310 nan 8.150 nan 0.000 0.426 653 V N 2.121 122.030 119.914 -0.008 0.000 2.320 653 V HA 0.234 4.354 4.120 0.001 0.000 0.265 653 V C 0.790 176.883 176.094 -0.001 0.000 1.048 653 V CA 0.402 62.702 62.300 0.001 0.000 0.865 653 V CB 1.189 33.028 31.823 0.027 0.000 1.043 653 V HN 0.808 nan 8.190 nan 0.000 0.474 654 Q N 4.139 123.888 119.800 -0.086 0.000 2.330 654 Q HA 0.017 4.357 4.340 0.001 0.000 0.279 654 Q C -0.008 175.891 176.000 -0.169 0.000 1.024 654 Q CA 0.296 55.954 55.803 -0.241 0.000 0.900 654 Q CB 0.180 28.601 28.738 -0.528 0.000 1.221 654 Q HN 0.715 nan 8.270 nan 0.000 0.396 655 Y N 0.321 120.652 120.300 0.051 0.000 4.894 655 Y HA -0.353 4.197 4.550 0.001 0.000 0.270 655 Y C 0.827 176.638 175.900 -0.149 0.000 0.930 655 Y CA 0.686 58.732 58.100 -0.091 0.000 1.814 655 Y CB -2.049 36.378 38.460 -0.055 0.000 1.235 655 Y HN 0.707 nan 8.280 nan 0.000 0.480 656 L N 1.766 123.084 121.223 0.159 0.000 2.054 656 L HA -0.297 4.044 4.340 0.001 0.000 0.220 656 L C 2.856 179.852 176.870 0.210 0.000 1.081 656 L CA 2.997 57.963 54.840 0.211 0.000 0.780 656 L CB -0.800 41.410 42.059 0.253 0.000 0.893 656 L HN 0.639 nan 8.230 nan 0.000 0.438 657 H N -1.177 118.003 119.070 0.184 0.000 2.521 657 H HA -0.069 4.488 4.556 0.001 0.000 0.286 657 H C 1.489 176.835 175.328 0.029 0.000 1.034 657 H CA 1.279 57.375 56.048 0.079 0.000 1.278 657 H CB -0.639 29.147 29.762 0.040 0.000 1.386 657 H HN 0.596 nan 8.280 nan 0.000 0.567 658 E N 1.131 121.075 120.200 -0.427 0.000 2.478 658 E HA 0.011 4.361 4.350 0.001 0.000 0.198 658 E C 1.760 178.305 176.600 -0.091 0.000 1.046 658 E CA 0.900 57.152 56.400 -0.247 0.000 0.870 658 E CB 0.114 29.654 29.700 -0.266 0.000 0.818 658 E HN 0.763 nan 8.360 nan 0.000 0.527 659 I N -2.942 117.615 120.570 -0.022 0.000 4.154 659 I HA 0.193 4.364 4.170 0.001 0.000 0.334 659 I C 1.914 178.046 176.117 0.025 0.000 1.371 659 I CA -0.354 60.963 61.300 0.029 0.000 1.110 659 I CB 0.289 38.346 38.000 0.095 0.000 1.085 659 I HN -0.200 nan 8.210 nan 0.000 0.398 660 K N 2.072 122.415 120.400 -0.096 0.000 2.020 660 K HA -0.227 4.094 4.320 0.001 0.000 0.212 660 K C 1.415 177.863 176.600 -0.253 0.000 1.050 660 K CA 2.640 58.676 56.287 -0.418 0.000 0.929 660 K CB -0.082 31.949 32.500 -0.782 0.000 0.714 660 K HN 0.368 nan 8.250 nan 0.000 0.443 661 D N 0.077 120.380 120.400 -0.162 0.000 2.149 661 D HA -0.130 4.511 4.640 0.001 0.000 0.198 661 D C 2.004 178.297 176.300 -0.012 0.000 0.990 661 D CA 1.233 55.182 54.000 -0.085 0.000 0.839 661 D CB -0.276 40.489 40.800 -0.057 0.000 0.948 661 D HN 0.181 nan 8.370 nan 0.000 0.460 662 S N 0.123 115.828 115.700 0.008 0.000 2.356 662 S HA -0.095 4.375 4.470 0.001 0.000 0.223 662 S C 2.392 177.053 174.600 0.101 0.000 1.032 662 S CA 0.663 58.894 58.200 0.051 0.000 1.005 662 S CB -0.274 62.953 63.200 0.044 0.000 0.867 662 S HN 0.101 nan 8.310 nan 0.000 0.449 663 V N 1.578 121.576 119.914 0.140 0.000 2.407 663 V HA -0.132 3.988 4.120 0.001 0.000 0.248 663 V C 2.277 178.515 176.094 0.241 0.000 1.055 663 V CA 1.305 63.743 62.300 0.230 0.000 1.049 663 V CB -0.818 31.262 31.823 0.428 0.000 0.662 663 V HN 0.311 nan 8.190 nan 0.000 0.455 664 V N 0.259 120.276 119.914 0.171 0.000 2.244 664 V HA -0.229 3.892 4.120 0.001 0.000 0.244 664 V C 2.762 178.978 176.094 0.204 0.000 1.042 664 V CA 2.009 64.421 62.300 0.186 0.000 1.006 664 V CB -1.169 30.695 31.823 0.069 0.000 0.641 664 V HN 0.542 nan 8.190 nan 0.000 0.446 665 A N 0.184 123.086 122.820 0.136 0.000 1.903 665 A HA -0.265 4.056 4.320 0.001 0.000 0.219 665 A C 2.444 180.151 177.584 0.205 0.000 1.191 665 A CA 2.692 54.813 52.037 0.141 0.000 0.638 665 A CB -1.065 18.011 19.000 0.127 0.000 0.823 665 A HN 0.638 nan 8.150 nan 0.000 0.451 666 A N -1.491 121.448 122.820 0.198 0.000 1.917 666 A HA -0.143 4.178 4.320 0.001 0.000 0.219 666 A C 2.062 179.777 177.584 0.219 0.000 1.182 666 A CA 1.878 54.029 52.037 0.190 0.000 0.633 666 A CB -0.767 18.320 19.000 0.145 0.000 0.819 666 A HN 0.705 nan 8.150 nan 0.000 0.448 667 F N 0.637 120.642 119.950 0.091 0.000 2.171 667 F HA -0.167 4.360 4.527 0.001 0.000 0.300 667 F C 2.462 178.289 175.800 0.045 0.000 1.090 667 F CA 1.894 59.939 58.000 0.075 0.000 1.293 667 F CB -0.174 38.878 39.000 0.086 0.000 1.013 667 F HN 0.238 nan 8.300 nan 0.000 0.486 668 Q N -1.120 118.654 119.800 -0.043 0.000 2.170 668 Q HA -0.227 4.114 4.340 0.001 0.000 0.203 668 Q C 2.160 177.964 176.000 -0.326 0.000 0.976 668 Q CA 1.863 57.525 55.803 -0.236 0.000 0.858 668 Q CB -0.978 27.632 28.738 -0.214 0.000 0.907 668 Q HN 0.597 nan 8.270 nan 0.000 0.433 669 W N 0.696 121.913 121.300 -0.139 0.000 2.480 669 W HA 0.055 4.716 4.660 0.001 0.000 0.299 669 W C 2.553 178.978 176.519 -0.157 0.000 1.187 669 W CA 0.847 58.111 57.345 -0.136 0.000 1.347 669 W CB -0.437 28.959 29.460 -0.107 0.000 1.121 669 W HN 0.121 nan 8.180 nan 0.000 0.533 670 A N 0.317 123.175 122.820 0.064 0.000 1.927 670 A HA -0.305 4.016 4.320 0.001 0.000 0.220 670 A C 1.885 179.410 177.584 -0.099 0.000 1.185 670 A CA 2.959 55.027 52.037 0.051 0.000 0.639 670 A CB -1.547 17.465 19.000 0.019 0.000 0.820 670 A HN 0.355 nan 8.150 nan 0.000 0.451 671 T N -3.048 111.286 114.554 -0.367 0.000 3.043 671 T HA 0.006 4.356 4.350 0.001 0.000 0.263 671 T C 1.728 176.251 174.700 -0.295 0.000 1.094 671 T CA 1.433 63.284 62.100 -0.415 0.000 1.127 671 T CB -0.019 68.461 68.868 -0.647 0.000 0.905 671 T HN 0.361 nan 8.240 nan 0.000 0.490 672 K N 2.127 122.377 120.400 -0.250 0.000 2.031 672 K HA 0.067 4.388 4.320 0.001 0.000 0.205 672 K C 0.477 176.983 176.600 -0.156 0.000 1.049 672 K CA 1.074 57.221 56.287 -0.234 0.000 0.939 672 K CB 0.004 32.321 32.500 -0.305 0.000 0.717 672 K HN 0.533 nan 8.250 nan 0.000 0.438 673 E N 0.139 120.302 120.200 -0.061 0.000 2.235 673 E HA 0.341 4.691 4.350 0.001 0.000 0.252 673 E C -0.703 175.838 176.600 -0.097 0.000 0.886 673 E CA -0.582 55.781 56.400 -0.061 0.000 0.767 673 E CB 1.555 31.285 29.700 0.049 0.000 1.205 673 E HN 0.370 nan 8.360 nan 0.000 0.421 674 G N 2.673 111.299 108.800 -0.291 0.000 2.580 674 G HA2 0.183 4.143 3.960 0.001 0.000 0.278 674 G HA3 0.183 4.143 3.960 0.001 0.000 0.278 674 G C -1.473 173.030 174.900 -0.661 0.000 1.212 674 G CA -1.015 43.744 45.100 -0.568 0.000 0.939 674 G HN 0.302 nan 8.290 nan 0.000 0.513 675 P HA 0.033 nan 4.420 nan 0.000 0.241 675 P C 1.506 178.701 177.300 -0.176 0.000 1.191 675 P CA 0.481 63.140 63.100 -0.735 0.000 0.771 675 P CB 0.343 31.436 31.700 -1.012 0.000 0.929 676 I N -0.241 120.291 120.570 -0.063 0.000 2.206 676 I HA -0.060 4.111 4.170 0.001 0.000 0.239 676 I C 1.442 177.759 176.117 0.332 0.000 1.078 676 I CA 1.429 62.841 61.300 0.186 0.000 1.367 676 I CB -0.261 37.925 38.000 0.310 0.000 1.078 676 I HN -0.105 nan 8.210 nan 0.000 0.413 677 F N -1.186 118.731 119.950 -0.054 0.000 2.453 677 F HA 0.584 5.111 4.527 0.001 0.000 0.382 677 F C 0.646 176.442 175.800 -0.007 0.000 1.495 677 F CA -0.324 57.674 58.000 -0.004 0.000 1.071 677 F CB -0.130 38.890 39.000 0.034 0.000 1.577 677 F HN 0.096 nan 8.300 nan 0.000 0.508 678 G N -0.032 108.671 108.800 -0.162 0.000 2.189 678 G HA2 -0.275 3.686 3.960 0.001 0.000 0.267 678 G HA3 -0.275 3.686 3.960 0.001 0.000 0.267 678 G C 0.276 174.983 174.900 -0.322 0.000 0.975 678 G CA 0.635 45.595 45.100 -0.234 0.000 0.644 678 G HN 0.511 nan 8.290 nan 0.000 0.537 679 E N 0.834 120.704 120.200 -0.549 0.000 2.369 679 E HA 0.301 4.651 4.350 0.001 0.000 0.255 679 E C 0.722 177.131 176.600 -0.318 0.000 1.172 679 E CA -0.317 55.797 56.400 -0.478 0.000 0.932 679 E CB 0.418 29.701 29.700 -0.696 0.000 1.040 679 E HN 0.593 nan 8.360 nan 0.000 0.454 680 E N 0.780 120.822 120.200 -0.263 0.000 2.383 680 E HA 0.102 4.453 4.350 0.001 0.000 0.264 680 E C -0.067 176.376 176.600 -0.263 0.000 1.050 680 E CA 0.026 56.272 56.400 -0.257 0.000 0.896 680 E CB 0.708 30.258 29.700 -0.250 0.000 0.982 680 E HN 0.214 nan 8.360 nan 0.000 0.424 681 M N 2.296 121.745 119.600 -0.252 0.000 2.249 681 M HA 0.291 4.772 4.480 0.001 0.000 0.351 681 M C 0.078 176.285 176.300 -0.155 0.000 1.180 681 M CA 0.098 55.285 55.300 -0.189 0.000 1.127 681 M CB 1.105 33.590 32.600 -0.191 0.000 1.546 681 M HN 0.299 nan 8.290 nan 0.000 0.461 682 R N 0.619 121.058 120.500 -0.102 0.000 2.621 682 R HA 0.353 4.694 4.340 0.001 0.000 0.284 682 R C -0.734 175.555 176.300 -0.018 0.000 0.998 682 R CA -0.134 55.893 56.100 -0.122 0.000 0.895 682 R CB 1.417 31.530 30.300 -0.311 0.000 1.195 682 R HN 0.824 nan 8.270 nan 0.000 0.450 683 S N 0.733 116.445 115.700 0.021 0.000 3.812 683 S HA -0.118 4.353 4.470 0.001 0.000 0.341 683 S C -0.621 174.040 174.600 0.101 0.000 1.057 683 S CA 0.743 58.981 58.200 0.064 0.000 1.015 683 S CB -1.297 61.931 63.200 0.047 0.000 0.893 683 S HN 0.373 nan 8.310 nan 0.000 0.476 684 V N 1.392 121.390 119.914 0.140 0.000 2.448 684 V HA 0.666 4.787 4.120 0.001 0.000 0.295 684 V C 0.240 176.456 176.094 0.203 0.000 1.025 684 V CA -0.793 61.617 62.300 0.184 0.000 0.859 684 V CB 1.925 33.908 31.823 0.268 0.000 0.988 684 V HN 0.450 nan 8.190 nan 0.000 0.431 685 R N 4.316 124.908 120.500 0.153 0.000 2.346 685 R HA 0.732 5.073 4.340 0.001 0.000 0.311 685 R C -1.671 174.679 176.300 0.082 0.000 0.983 685 R CA -0.274 55.899 56.100 0.122 0.000 0.880 685 R CB 1.744 32.112 30.300 0.113 0.000 1.100 685 R HN 0.435 nan 8.270 nan 0.000 0.453 686 V N 5.126 125.053 119.914 0.022 0.000 2.443 686 V HA 0.374 4.494 4.120 0.001 0.000 0.293 686 V C -0.930 175.105 176.094 -0.099 0.000 1.021 686 V CA -0.868 61.427 62.300 -0.008 0.000 0.848 686 V CB 1.696 33.534 31.823 0.026 0.000 0.998 686 V HN 0.910 nan 8.190 nan 0.000 0.424 687 N N 4.726 123.377 118.700 -0.082 0.000 2.457 687 N HA 0.523 5.263 4.740 0.001 0.000 0.250 687 N C -0.742 174.694 175.510 -0.123 0.000 0.982 687 N CA -0.574 52.402 53.050 -0.123 0.000 0.941 687 N CB 1.545 39.966 38.487 -0.110 0.000 1.120 687 N HN 0.496 nan 8.380 nan 0.000 0.505 688 I N 3.286 123.740 120.570 -0.194 0.000 2.406 688 I HA 0.011 4.182 4.170 0.001 0.000 0.293 688 I C 1.105 177.137 176.117 -0.141 0.000 1.101 688 I CA 0.278 61.475 61.300 -0.173 0.000 1.334 688 I CB 0.296 38.116 38.000 -0.299 0.000 1.421 688 I HN 0.606 nan 8.210 nan 0.000 0.513 689 L N 3.540 124.725 121.223 -0.062 0.000 2.068 689 L HA 0.096 4.437 4.340 0.001 0.000 0.204 689 L C 0.595 177.428 176.870 -0.062 0.000 1.076 689 L CA 0.954 55.760 54.840 -0.058 0.000 0.753 689 L CB -0.138 41.908 42.059 -0.022 0.000 0.910 689 L HN 0.554 nan 8.230 nan 0.000 0.439 690 D N -2.096 118.306 120.400 0.004 0.000 2.596 690 D HA 0.572 5.213 4.640 0.001 0.000 0.262 690 D C -1.452 174.929 176.300 0.134 0.000 1.210 690 D CA -0.254 53.733 54.000 -0.022 0.000 0.873 690 D CB 2.955 43.601 40.800 -0.256 0.000 1.408 690 D HN -0.306 nan 8.370 nan 0.000 0.441 691 V N 0.451 120.424 119.914 0.099 0.000 2.969 691 V HA 0.620 4.740 4.120 0.001 0.000 0.304 691 V C -0.775 175.398 176.094 0.131 0.000 1.192 691 V CA -0.724 61.669 62.300 0.154 0.000 0.962 691 V CB 2.151 34.033 31.823 0.098 0.000 1.045 691 V HN 0.790 nan 8.190 nan 0.000 0.428 692 T N 2.953 117.606 114.554 0.165 0.000 2.879 692 T HA 0.850 5.201 4.350 0.001 0.000 0.290 692 T C -1.159 173.624 174.700 0.139 0.000 0.993 692 T CA -0.547 61.633 62.100 0.134 0.000 0.975 692 T CB 1.138 70.092 68.868 0.143 0.000 0.981 692 T HN 0.430 nan 8.240 nan 0.000 0.439 693 L N 2.432 123.746 121.223 0.153 0.000 2.370 693 L HA 0.523 4.864 4.340 0.001 0.000 0.266 693 L C 0.134 177.127 176.870 0.206 0.000 1.002 693 L CA -1.469 53.480 54.840 0.183 0.000 0.818 693 L CB 2.036 44.215 42.059 0.200 0.000 1.325 693 L HN 0.809 nan 8.230 nan 0.000 0.418 694 H N 0.661 119.798 119.070 0.112 0.000 2.928 694 H HA 0.087 4.644 4.556 0.001 0.000 0.338 694 H C 0.941 176.291 175.328 0.037 0.000 1.047 694 H CA 0.682 56.778 56.048 0.079 0.000 1.435 694 H CB 1.576 31.345 29.762 0.012 0.000 1.428 694 H HN 0.771 nan 8.280 nan 0.000 0.590 695 A N 4.180 127.052 122.820 0.086 0.000 1.908 695 A HA -0.128 4.192 4.320 0.001 0.000 0.218 695 A C 0.646 178.247 177.584 0.028 0.000 1.181 695 A CA 1.439 53.570 52.037 0.156 0.000 0.627 695 A CB -0.084 18.990 19.000 0.123 0.000 0.818 695 A HN 0.807 nan 8.150 nan 0.000 0.445 696 D N -0.263 120.333 120.400 0.327 0.000 2.312 696 D HA 0.442 5.082 4.640 0.001 0.000 0.252 696 D C 1.239 177.452 176.300 -0.145 0.000 1.150 696 D CA 0.633 54.639 54.000 0.011 0.000 0.870 696 D CB 1.511 42.301 40.800 -0.015 0.000 1.153 696 D HN 0.212 nan 8.370 nan 0.000 0.457 697 A N 4.387 127.088 122.820 -0.199 0.000 1.958 697 A HA -0.180 4.141 4.320 0.001 0.000 0.221 697 A C 1.415 178.900 177.584 -0.166 0.000 1.178 697 A CA 0.835 52.757 52.037 -0.192 0.000 0.642 697 A CB -0.494 18.404 19.000 -0.169 0.000 0.816 697 A HN 0.623 nan 8.150 nan 0.000 0.453 701 G N -0.183 108.583 108.800 -0.056 0.000 2.750 701 G HA2 0.228 4.189 3.960 0.001 0.000 0.250 701 G HA3 0.228 4.189 3.960 0.001 0.000 0.250 701 G C 1.193 176.079 174.900 -0.023 0.000 1.230 701 G CA 0.156 45.230 45.100 -0.044 0.000 0.883 701 G HN 0.150 nan 8.290 nan 0.000 0.573 702 G N 0.174 108.963 108.800 -0.018 0.000 2.553 702 G HA2 -0.120 3.840 3.960 0.001 0.000 0.218 702 G HA3 -0.120 3.840 3.960 0.001 0.000 0.218 702 G C 1.890 176.784 174.900 -0.009 0.000 1.195 702 G CA 1.570 46.666 45.100 -0.006 0.000 0.779 702 G HN 1.092 nan 8.290 nan 0.000 0.577 703 G N -0.523 108.266 108.800 -0.019 0.000 2.485 703 G HA2 -0.165 3.796 3.960 0.001 0.000 0.221 703 G HA3 -0.165 3.796 3.960 0.001 0.000 0.221 703 G C 1.872 176.760 174.900 -0.021 0.000 1.115 703 G CA 1.352 46.437 45.100 -0.026 0.000 0.751 703 G HN 0.399 nan 8.290 nan 0.000 0.567 704 Q N -0.144 119.647 119.800 -0.015 0.000 2.036 704 Q HA 0.096 4.436 4.340 0.001 0.000 0.195 704 Q C 2.753 178.756 176.000 0.005 0.000 0.971 704 Q CA 0.560 56.360 55.803 -0.004 0.000 0.826 704 Q CB -0.472 28.266 28.738 0.000 0.000 0.896 704 Q HN 0.466 nan 8.270 nan 0.000 0.449 705 I N 1.083 121.661 120.570 0.013 0.000 2.226 705 I HA -0.228 3.942 4.170 0.001 0.000 0.245 705 I C 2.310 178.444 176.117 0.027 0.000 1.100 705 I CA 0.832 62.149 61.300 0.029 0.000 1.374 705 I CB -0.437 37.590 38.000 0.044 0.000 1.057 705 I HN 0.122 nan 8.210 nan 0.000 0.413 706 I N 0.711 121.293 120.570 0.021 0.000 2.091 706 I HA -0.276 3.894 4.170 0.001 0.000 0.239 706 I C -0.279 175.833 176.117 -0.007 0.000 1.061 706 I CA 1.923 63.236 61.300 0.023 0.000 1.317 706 I CB -1.919 36.092 38.000 0.017 0.000 1.031 706 I HN 0.207 nan 8.210 nan 0.000 0.401 707 P HA -0.118 nan 4.420 nan 0.000 0.216 707 P C 1.572 178.843 177.300 -0.048 0.000 1.150 707 P CA 1.602 64.664 63.100 -0.064 0.000 0.837 707 P CB -0.247 31.417 31.700 -0.059 0.000 0.786 708 T N 0.102 114.643 114.554 -0.022 0.000 2.580 708 T HA -0.266 4.085 4.350 0.001 0.000 0.265 708 T C 1.761 176.454 174.700 -0.011 0.000 1.063 708 T CA 2.121 64.210 62.100 -0.017 0.000 1.170 708 T CB -1.040 67.823 68.868 -0.009 0.000 0.863 708 T HN 0.061 nan 8.240 nan 0.000 0.418 709 M N 1.288 120.897 119.600 0.016 0.000 2.108 709 M HA -0.105 4.375 4.480 0.001 0.000 0.257 709 M C 2.175 178.495 176.300 0.033 0.000 1.071 709 M CA 1.580 56.909 55.300 0.049 0.000 1.093 709 M CB -0.507 32.152 32.600 0.099 0.000 1.345 709 M HN 0.010 nan 8.290 nan 0.000 0.403 710 R N -0.181 120.300 120.500 -0.032 0.000 2.081 710 R HA -0.123 4.217 4.340 0.001 0.000 0.235 710 R C 2.220 178.339 176.300 -0.301 0.000 1.131 710 R CA 1.833 57.830 56.100 -0.171 0.000 0.960 710 R CB -0.202 29.947 30.300 -0.253 0.000 0.856 710 R HN 0.500 nan 8.270 nan 0.000 0.436 711 R N -0.248 120.147 120.500 -0.175 0.000 2.062 711 R HA -0.009 4.331 4.340 0.001 0.000 0.229 711 R C 2.405 178.748 176.300 0.071 0.000 1.128 711 R CA 1.152 57.212 56.100 -0.066 0.000 0.960 711 R CB -0.496 29.862 30.300 0.096 0.000 0.855 711 R HN 0.178 nan 8.270 nan 0.000 0.432 712 A N 1.154 124.008 122.820 0.056 0.000 1.892 712 A HA -0.216 4.105 4.320 0.001 0.000 0.218 712 A C 2.267 179.940 177.584 0.149 0.000 1.188 712 A CA 2.307 54.395 52.037 0.085 0.000 0.631 712 A CB -1.149 17.864 19.000 0.022 0.000 0.822 712 A HN 0.326 nan 8.150 nan 0.000 0.447 713 T N -1.216 113.423 114.554 0.143 0.000 2.684 713 T HA -0.185 4.165 4.350 0.001 0.000 0.267 713 T C 1.800 176.686 174.700 0.310 0.000 1.036 713 T CA 1.799 64.035 62.100 0.228 0.000 1.148 713 T CB -0.462 68.559 68.868 0.255 0.000 0.863 713 T HN 0.483 nan 8.240 nan 0.000 0.436 714 Y N 1.579 121.848 120.300 -0.052 0.000 2.181 714 Y HA -0.008 4.543 4.550 0.001 0.000 0.288 714 Y C 2.717 178.673 175.900 0.093 0.000 1.146 714 Y CA 0.097 58.087 58.100 -0.183 0.000 1.164 714 Y CB -1.359 36.621 38.460 -0.801 0.000 0.982 714 Y HN 0.209 nan 8.280 nan 0.000 0.515 715 A N 0.057 123.099 122.820 0.370 0.000 1.834 715 A HA -0.174 4.146 4.320 0.001 0.000 0.216 715 A C 2.723 180.504 177.584 0.328 0.000 1.203 715 A CA 2.220 54.544 52.037 0.478 0.000 0.621 715 A CB -1.553 17.749 19.000 0.504 0.000 0.841 715 A HN 0.454 nan 8.150 nan 0.000 0.446 716 G N -1.162 107.783 108.800 0.242 0.000 2.529 716 G HA2 -0.344 3.617 3.960 0.001 0.000 0.219 716 G HA3 -0.344 3.617 3.960 0.001 0.000 0.219 716 G C 1.510 176.485 174.900 0.126 0.000 1.177 716 G CA 1.438 46.622 45.100 0.140 0.000 0.773 716 G HN 0.540 nan 8.290 nan 0.000 0.573 717 F N 0.648 120.638 119.950 0.066 0.000 2.065 717 F HA -0.134 4.393 4.527 0.001 0.000 0.298 717 F C 2.360 178.171 175.800 0.019 0.000 1.112 717 F CA 1.378 59.396 58.000 0.031 0.000 1.212 717 F CB -0.243 38.760 39.000 0.006 0.000 0.975 717 F HN 0.058 nan 8.300 nan 0.000 0.476 718 L N 0.212 121.602 121.223 0.279 0.000 2.265 718 L HA -0.161 4.180 4.340 0.001 0.000 0.215 718 L C 2.088 178.962 176.870 0.006 0.000 1.117 718 L CA 1.434 56.391 54.840 0.195 0.000 0.782 718 L CB -1.236 41.057 42.059 0.391 0.000 0.914 718 L HN 0.306 nan 8.230 nan 0.000 0.441 719 L N -1.362 119.808 121.223 -0.089 0.000 2.375 719 L HA 0.061 4.401 4.340 0.001 0.000 0.215 719 L C 1.884 178.623 176.870 -0.218 0.000 1.108 719 L CA 0.484 55.168 54.840 -0.259 0.000 0.830 719 L CB -0.329 41.500 42.059 -0.384 0.000 0.959 719 L HN 0.162 nan 8.230 nan 0.000 0.457 720 A N -0.448 122.240 122.820 -0.219 0.000 2.346 720 A HA 0.009 4.329 4.320 0.001 0.000 0.242 720 A C 0.051 177.489 177.584 -0.244 0.000 1.323 720 A CA -0.023 51.880 52.037 -0.223 0.000 0.940 720 A CB -0.626 18.239 19.000 -0.224 0.000 0.943 720 A HN 0.430 nan 8.150 nan 0.000 0.501 721 D N -1.009 119.266 120.400 -0.210 0.000 3.729 721 D HA -0.091 4.549 4.640 0.001 0.000 0.242 721 D C -2.857 173.307 176.300 -0.226 0.000 1.091 721 D CA 0.264 54.163 54.000 -0.169 0.000 1.096 721 D CB -0.574 40.151 40.800 -0.125 0.000 0.901 721 D HN 0.278 nan 8.370 nan 0.000 0.416 722 P HA 0.435 nan 4.420 nan 0.000 0.274 722 P C -0.500 176.747 177.300 -0.088 0.000 1.231 722 P CA -0.081 62.877 63.100 -0.236 0.000 0.790 722 P CB 0.759 32.401 31.700 -0.097 0.000 0.951 723 K N 0.903 121.283 120.400 -0.033 0.000 2.579 723 K HA 0.633 4.953 4.320 0.001 0.000 0.284 723 K C -1.046 175.596 176.600 0.070 0.000 0.990 723 K CA -0.695 55.596 56.287 0.006 0.000 0.880 723 K CB 1.599 34.092 32.500 -0.011 0.000 1.488 723 K HN 0.466 nan 8.250 nan 0.000 0.425 724 I N -1.709 118.898 120.570 0.062 0.000 2.740 724 I HA 0.526 4.696 4.170 0.001 0.000 0.303 724 I C -1.119 175.077 176.117 0.131 0.000 1.044 724 I CA -0.662 60.708 61.300 0.117 0.000 1.064 724 I CB 2.173 40.233 38.000 0.099 0.000 1.249 724 I HN 0.459 nan 8.210 nan 0.000 0.433 725 Q N 3.686 123.603 119.800 0.195 0.000 2.257 725 Q HA 0.456 4.797 4.340 0.001 0.000 0.262 725 Q C -1.199 175.121 176.000 0.533 0.000 0.997 725 Q CA -0.807 55.158 55.803 0.269 0.000 0.873 725 Q CB 2.468 31.326 28.738 0.199 0.000 1.312 725 Q HN 0.752 nan 8.270 nan 0.000 0.450 726 E N 1.173 121.673 120.200 0.500 0.000 2.277 726 E HA 0.578 4.929 4.350 0.001 0.000 0.266 726 E C -2.709 174.043 176.600 0.254 0.000 0.901 726 E CA -2.342 54.348 56.400 0.483 0.000 0.782 726 E CB 2.048 31.973 29.700 0.376 0.000 1.228 726 E HN 0.184 nan 8.360 nan 0.000 0.424 727 P HA 0.161 nan 4.420 nan 0.000 0.281 727 P C -0.701 176.382 177.300 -0.361 0.000 1.249 727 P CA -0.499 62.356 63.100 -0.409 0.000 0.810 727 P CB 1.334 32.683 31.700 -0.586 0.000 1.008 728 V N 2.384 122.042 119.914 -0.428 0.000 2.808 728 V HA 0.353 4.473 4.120 0.001 0.000 0.308 728 V C -0.355 175.554 176.094 -0.307 0.000 1.099 728 V CA -0.495 61.613 62.300 -0.319 0.000 0.920 728 V CB 1.607 33.364 31.823 -0.112 0.000 1.014 728 V HN 0.326 nan 8.190 nan 0.000 0.425 729 F N 3.293 123.189 119.950 -0.089 0.000 2.385 729 F HA 0.540 5.068 4.527 0.001 0.000 0.336 729 F C 0.230 176.007 175.800 -0.038 0.000 1.100 729 F CA -1.109 56.829 58.000 -0.103 0.000 1.116 729 F CB 1.393 40.327 39.000 -0.110 0.000 1.166 729 F HN 0.285 nan 8.300 nan 0.000 0.511 730 L N 4.733 126.056 121.223 0.166 0.000 2.272 730 L HA 0.482 4.823 4.340 0.001 0.000 0.284 730 L C -1.104 175.751 176.870 -0.025 0.000 1.045 730 L CA -0.556 54.349 54.840 0.108 0.000 0.842 730 L CB 0.740 42.836 42.059 0.061 0.000 1.224 730 L HN 0.412 nan 8.230 nan 0.000 0.430 731 V N 6.222 126.093 119.914 -0.071 0.000 2.350 731 V HA 0.295 4.415 4.120 0.001 0.000 0.276 731 V C -0.037 175.987 176.094 -0.117 0.000 1.028 731 V CA -0.365 61.861 62.300 -0.124 0.000 0.860 731 V CB 1.676 33.400 31.823 -0.165 0.000 0.990 731 V HN 0.833 nan 8.190 nan 0.000 0.453 732 E N 6.492 126.620 120.200 -0.121 0.000 2.197 732 E HA 0.545 4.895 4.350 0.001 0.000 0.281 732 E C -1.141 175.396 176.600 -0.106 0.000 0.995 732 E CA -0.558 55.780 56.400 -0.103 0.000 0.808 732 E CB 1.278 30.925 29.700 -0.088 0.000 1.093 732 E HN 0.729 nan 8.360 nan 0.000 0.394 733 I N 3.468 123.996 120.570 -0.070 0.000 2.545 733 I HA 0.215 4.386 4.170 0.001 0.000 0.292 733 I C -0.732 175.395 176.117 0.017 0.000 1.040 733 I CA -1.000 60.267 61.300 -0.055 0.000 1.068 733 I CB 2.093 40.063 38.000 -0.049 0.000 1.251 733 I HN 0.430 nan 8.210 nan 0.000 0.424 734 Q N 4.319 124.168 119.800 0.083 0.000 2.307 734 Q HA 0.642 4.982 4.340 0.001 0.000 0.262 734 Q C -1.182 174.886 176.000 0.113 0.000 0.961 734 Q CA -0.147 55.739 55.803 0.138 0.000 0.882 734 Q CB 2.033 30.910 28.738 0.231 0.000 1.264 734 Q HN 0.693 nan 8.270 nan 0.000 0.446 735 C N 4.318 123.677 119.300 0.099 0.000 3.199 735 C HA 0.516 4.976 4.460 0.001 0.000 0.392 735 C C -2.809 172.210 174.990 0.048 0.000 1.050 735 C CA -1.608 57.450 59.018 0.067 0.000 1.222 735 C CB 1.433 29.196 27.740 0.038 0.000 1.595 735 C HN 0.622 nan 8.230 nan 0.000 0.560 736 P HA 0.116 nan 4.420 nan 0.000 0.265 736 P C 0.638 177.839 177.300 -0.165 0.000 1.193 736 P CA 0.682 63.746 63.100 -0.061 0.000 0.765 736 P CB 0.468 32.155 31.700 -0.022 0.000 0.823 737 E N 3.131 123.086 120.200 -0.408 0.000 2.253 737 E HA -0.354 3.997 4.350 0.001 0.000 0.202 737 E C 1.564 177.999 176.600 -0.275 0.000 1.014 737 E CA 1.362 57.350 56.400 -0.688 0.000 0.823 737 E CB 0.124 29.255 29.700 -0.948 0.000 0.736 737 E HN 0.509 nan 8.360 nan 0.000 0.478 738 Q N -0.586 119.114 119.800 -0.166 0.000 2.084 738 Q HA -0.121 4.219 4.340 0.001 0.000 0.202 738 Q C 1.781 177.761 176.000 -0.032 0.000 0.978 738 Q CA 1.568 57.324 55.803 -0.077 0.000 0.844 738 Q CB -0.218 28.487 28.738 -0.055 0.000 0.898 738 Q HN 0.248 nan 8.270 nan 0.000 0.426 739 A N 0.812 123.617 122.820 -0.026 0.000 2.308 739 A HA 0.283 4.603 4.320 0.001 0.000 0.217 739 A C 1.978 179.568 177.584 0.011 0.000 1.216 739 A CA -0.115 51.921 52.037 -0.002 0.000 0.864 739 A CB 0.123 19.121 19.000 -0.002 0.000 0.902 739 A HN 0.162 nan 8.150 nan 0.000 0.499 740 V N -0.031 119.900 119.914 0.029 0.000 2.867 740 V HA -0.196 3.924 4.120 0.001 0.000 0.260 740 V C 2.648 178.798 176.094 0.095 0.000 1.099 740 V CA 1.795 64.137 62.300 0.070 0.000 1.122 740 V CB -1.136 30.834 31.823 0.244 0.000 0.708 740 V HN 0.595 nan 8.190 nan 0.000 0.490 741 G N 0.727 109.602 108.800 0.125 0.000 2.433 741 G HA2 -0.168 3.792 3.960 0.001 0.000 0.216 741 G HA3 -0.168 3.792 3.960 0.001 0.000 0.216 741 G C 1.662 176.630 174.900 0.113 0.000 1.186 741 G CA 0.803 46.003 45.100 0.168 0.000 0.779 741 G HN 0.565 nan 8.290 nan 0.000 0.543 742 G N 0.785 109.614 108.800 0.047 0.000 2.485 742 G HA2 -0.196 3.764 3.960 0.001 0.000 0.221 742 G HA3 -0.196 3.764 3.960 0.001 0.000 0.221 742 G C 1.572 176.467 174.900 -0.008 0.000 1.115 742 G CA 0.908 46.018 45.100 0.018 0.000 0.751 742 G HN 0.331 nan 8.290 nan 0.000 0.567 743 I N 0.202 120.733 120.570 -0.064 0.000 2.054 743 I HA -0.126 4.045 4.170 0.001 0.000 0.231 743 I C 2.476 178.536 176.117 -0.096 0.000 1.052 743 I CA 1.002 62.210 61.300 -0.155 0.000 1.320 743 I CB -1.607 36.165 38.000 -0.380 0.000 1.063 743 I HN 0.184 nan 8.210 nan 0.000 0.393 744 Y N 1.203 121.541 120.300 0.064 0.000 2.271 744 Y HA -0.259 4.291 4.550 0.001 0.000 0.284 744 Y C 3.059 178.994 175.900 0.058 0.000 1.189 744 Y CA 1.648 59.783 58.100 0.058 0.000 1.229 744 Y CB -1.260 37.230 38.460 0.050 0.000 0.973 744 Y HN 0.204 nan 8.280 nan 0.000 0.537 745 S N -0.403 115.399 115.700 0.170 0.000 2.343 745 S HA -0.155 4.316 4.470 0.001 0.000 0.219 745 S C 2.155 176.816 174.600 0.101 0.000 1.033 745 S CA 1.669 59.940 58.200 0.117 0.000 1.014 745 S CB -0.673 62.574 63.200 0.079 0.000 0.915 745 S HN 0.197 nan 8.310 nan 0.000 0.435 746 V N 2.423 122.387 119.914 0.084 0.000 2.548 746 V HA -0.032 4.089 4.120 0.001 0.000 0.249 746 V C 2.288 178.479 176.094 0.163 0.000 1.055 746 V CA 1.174 63.537 62.300 0.105 0.000 1.065 746 V CB -0.704 31.159 31.823 0.066 0.000 0.681 746 V HN 0.467 nan 8.190 nan 0.000 0.462 747 L N 0.501 121.822 121.223 0.163 0.000 2.191 747 L HA -0.133 4.208 4.340 0.001 0.000 0.212 747 L C 2.012 178.965 176.870 0.139 0.000 1.103 747 L CA 1.196 56.133 54.840 0.163 0.000 0.769 747 L CB -0.578 41.565 42.059 0.140 0.000 0.908 747 L HN 0.446 nan 8.230 nan 0.000 0.438 748 N N 0.728 119.507 118.700 0.132 0.000 2.412 748 N HA -0.068 4.673 4.740 0.001 0.000 0.184 748 N C 1.213 176.778 175.510 0.092 0.000 1.101 748 N CA 0.591 53.706 53.050 0.108 0.000 0.881 748 N CB 0.186 38.734 38.487 0.102 0.000 0.969 748 N HN 0.530 nan 8.380 nan 0.000 0.459 749 K N -0.444 120.016 120.400 0.100 0.000 2.455 749 K HA 0.301 4.622 4.320 0.001 0.000 0.206 749 K C 0.368 177.028 176.600 0.099 0.000 1.027 749 K CA -0.093 56.247 56.287 0.088 0.000 1.113 749 K CB 0.593 33.141 32.500 0.081 0.000 0.850 749 K HN -0.279 nan 8.250 nan 0.000 0.503 750 K N 0.790 121.256 120.400 0.109 0.000 2.554 750 K HA 0.284 4.605 4.320 0.001 0.000 0.211 750 K C -0.478 176.173 176.600 0.085 0.000 1.226 750 K CA -0.235 56.118 56.287 0.110 0.000 1.025 750 K CB 0.707 33.297 32.500 0.150 0.000 1.021 750 K HN 0.210 nan 8.250 nan 0.000 0.600 751 R N -0.532 120.017 120.500 0.082 0.000 3.774 751 R HA -0.116 4.224 4.340 0.001 0.000 0.320 751 R C 0.309 176.659 176.300 0.083 0.000 1.175 751 R CA 0.514 56.659 56.100 0.075 0.000 0.849 751 R CB -2.310 28.029 30.300 0.065 0.000 1.365 751 R HN 0.314 nan 8.270 nan 0.000 0.502 752 G N 0.832 109.686 108.800 0.089 0.000 2.527 752 G HA2 0.224 4.184 3.960 0.001 0.000 0.248 752 G HA3 0.224 4.184 3.960 0.001 0.000 0.248 752 G C -0.364 174.597 174.900 0.102 0.000 1.231 752 G CA -0.232 44.920 45.100 0.087 0.000 0.838 752 G HN 0.180 nan 8.290 nan 0.000 0.570 753 Q N 1.238 121.104 119.800 0.110 0.000 2.347 753 Q HA 0.383 4.723 4.340 0.001 0.000 0.265 753 Q C -0.783 175.230 176.000 0.023 0.000 1.024 753 Q CA -0.684 55.183 55.803 0.107 0.000 0.731 753 Q CB 1.718 30.569 28.738 0.188 0.000 1.245 753 Q HN 0.355 nan 8.270 nan 0.000 0.472 754 V N 4.869 124.808 119.914 0.043 0.000 2.493 754 V HA -0.032 4.088 4.120 0.001 0.000 0.292 754 V C 0.997 177.047 176.094 -0.073 0.000 1.016 754 V CA 0.304 62.613 62.300 0.015 0.000 1.097 754 V CB 0.837 32.755 31.823 0.158 0.000 0.947 754 V HN 0.774 nan 8.190 nan 0.000 0.479 755 V N 3.241 123.034 119.914 -0.202 0.000 2.795 755 V HA 0.154 4.274 4.120 0.001 0.000 0.243 755 V C 0.724 176.738 176.094 -0.134 0.000 1.069 755 V CA 1.251 63.408 62.300 -0.238 0.000 1.089 755 V CB 0.533 32.051 31.823 -0.508 0.000 0.756 755 V HN 1.016 nan 8.190 nan 0.000 0.471 756 S N -0.517 115.113 115.700 -0.117 0.000 2.578 756 S HA 0.445 4.915 4.470 0.001 0.000 0.285 756 S C -1.328 173.231 174.600 -0.069 0.000 1.126 756 S CA -0.715 57.437 58.200 -0.081 0.000 0.878 756 S CB 2.208 65.354 63.200 -0.090 0.000 1.091 756 S HN 0.311 nan 8.310 nan 0.000 0.450 757 E N 1.561 121.720 120.200 -0.069 0.000 2.244 757 E HA 0.431 4.782 4.350 0.001 0.000 0.260 757 E C -1.067 175.406 176.600 -0.213 0.000 0.884 757 E CA -0.328 56.008 56.400 -0.106 0.000 0.777 757 E CB 1.366 31.051 29.700 -0.026 0.000 1.197 757 E HN 0.761 nan 8.360 nan 0.000 0.416 758 E N 2.550 122.624 120.200 -0.210 0.000 2.339 758 E HA 0.302 4.652 4.350 0.001 0.000 0.262 758 E C -0.911 175.554 176.600 -0.225 0.000 0.934 758 E CA -0.912 55.358 56.400 -0.217 0.000 0.802 758 E CB 2.544 32.184 29.700 -0.101 0.000 1.275 758 E HN 0.418 nan 8.360 nan 0.000 0.427 759 Q N 1.139 120.869 119.800 -0.117 0.000 2.377 759 Q HA 0.323 4.664 4.340 0.001 0.000 0.271 759 Q C -1.046 175.021 176.000 0.111 0.000 1.077 759 Q CA -0.827 55.053 55.803 0.127 0.000 0.820 759 Q CB 2.003 30.910 28.738 0.281 0.000 1.347 759 Q HN 0.386 nan 8.270 nan 0.000 0.444 760 R N 4.311 124.900 120.500 0.147 0.000 2.242 760 R HA 0.178 4.519 4.340 0.001 0.000 0.334 760 R C -1.936 174.411 176.300 0.080 0.000 1.071 760 R CA -1.254 54.899 56.100 0.089 0.000 0.922 760 R CB 0.417 30.767 30.300 0.082 0.000 1.023 760 R HN 0.534 nan 8.270 nan 0.000 0.458 761 P HA -0.330 nan 4.420 nan 0.000 0.220 761 P C 0.875 178.204 177.300 0.048 0.000 0.885 761 P CA 2.472 65.600 63.100 0.046 0.000 1.045 761 P CB -0.044 31.674 31.700 0.030 0.000 0.724 762 G N -1.997 106.825 108.800 0.037 0.000 2.556 762 G HA2 -0.122 3.838 3.960 0.001 0.000 0.215 762 G HA3 -0.122 3.838 3.960 0.001 0.000 0.215 762 G C 0.435 175.353 174.900 0.030 0.000 1.258 762 G CA 1.756 46.873 45.100 0.029 0.000 0.811 762 G HN 0.566 nan 8.290 nan 0.000 0.557 763 T N -0.472 114.100 114.554 0.030 0.000 2.734 763 T HA 0.302 4.653 4.350 0.001 0.000 0.314 763 T C -2.056 172.661 174.700 0.028 0.000 1.057 763 T CA -0.691 61.423 62.100 0.023 0.000 1.047 763 T CB 1.227 70.111 68.868 0.026 0.000 0.991 763 T HN 0.006 nan 8.240 nan 0.000 0.540 764 P HA 0.280 nan 4.420 nan 0.000 0.254 764 P C -0.295 176.930 177.300 -0.124 0.000 1.494 764 P CA -0.397 62.650 63.100 -0.089 0.000 0.961 764 P CB -0.128 31.498 31.700 -0.125 0.000 1.493 765 L N 0.625 121.859 121.223 0.017 0.000 2.363 765 L HA 0.277 4.618 4.340 0.001 0.000 0.286 765 L C -0.264 176.753 176.870 0.246 0.000 1.106 765 L CA -0.197 54.689 54.840 0.076 0.000 0.859 765 L CB -1.234 40.873 42.059 0.081 0.000 1.223 765 L HN -0.090 nan 8.230 nan 0.000 0.446 766 F N 2.569 122.536 119.950 0.028 0.000 2.403 766 F HA 0.289 4.817 4.527 0.001 0.000 0.320 766 F C 0.953 176.762 175.800 0.015 0.000 1.176 766 F CA -0.619 57.396 58.000 0.024 0.000 1.206 766 F CB 1.496 40.515 39.000 0.031 0.000 1.235 766 F HN 0.368 nan 8.300 nan 0.000 0.565 767 T N 1.892 116.541 114.554 0.159 0.000 3.103 767 T HA 0.389 4.739 4.350 0.001 0.000 0.352 767 T C -1.160 173.536 174.700 -0.007 0.000 1.048 767 T CA -0.509 61.630 62.100 0.063 0.000 1.175 767 T CB -0.080 68.814 68.868 0.044 0.000 1.029 767 T HN 0.250 nan 8.240 nan 0.000 0.498 768 V N 5.593 125.495 119.914 -0.020 0.000 2.546 768 V HA 0.508 4.628 4.120 0.001 0.000 0.284 768 V C 0.294 176.334 176.094 -0.090 0.000 1.050 768 V CA -0.454 61.803 62.300 -0.072 0.000 0.981 768 V CB 1.284 33.016 31.823 -0.151 0.000 0.990 768 V HN 0.701 nan 8.190 nan 0.000 0.474 769 K N 3.309 123.644 120.400 -0.108 0.000 2.376 769 K HA 0.841 5.161 4.320 0.001 0.000 0.257 769 K C -0.496 175.974 176.600 -0.218 0.000 0.939 769 K CA -0.337 55.856 56.287 -0.157 0.000 0.809 769 K CB 2.266 34.667 32.500 -0.165 0.000 1.121 769 K HN 0.852 nan 8.250 nan 0.000 0.425 770 A N 2.219 124.886 122.820 -0.255 0.000 2.583 770 A HA 0.666 4.987 4.320 0.001 0.000 0.289 770 A C -1.961 175.425 177.584 -0.330 0.000 1.151 770 A CA -0.701 51.156 52.037 -0.301 0.000 0.695 770 A CB 0.795 19.728 19.000 -0.112 0.000 1.290 770 A HN 0.524 nan 8.150 nan 0.000 0.419 771 Y N -0.479 119.798 120.300 -0.038 0.000 2.341 771 Y HA 0.635 5.186 4.550 0.001 0.000 0.337 771 Y C -0.309 175.574 175.900 -0.027 0.000 1.014 771 Y CA -0.938 57.138 58.100 -0.040 0.000 1.111 771 Y CB 1.784 40.237 38.460 -0.013 0.000 1.194 771 Y HN 0.537 nan 8.280 nan 0.000 0.462 772 L N 6.605 127.911 121.223 0.139 0.000 2.343 772 L HA 0.657 4.997 4.340 0.001 0.000 0.278 772 L C -2.874 174.015 176.870 0.032 0.000 0.996 772 L CA -2.539 52.319 54.840 0.030 0.000 0.831 772 L CB 1.799 43.766 42.059 -0.153 0.000 1.232 772 L HN 0.296 nan 8.230 nan 0.000 0.413 773 P HA 0.013 nan 4.420 nan 0.000 0.261 773 P C 0.987 178.238 177.300 -0.082 0.000 1.203 773 P CA 0.061 63.133 63.100 -0.046 0.000 0.767 773 P CB 0.717 32.422 31.700 0.009 0.000 0.785 774 V N 3.708 123.439 119.914 -0.305 0.000 2.380 774 V HA -0.268 3.853 4.120 0.001 0.000 0.251 774 V C 1.988 178.106 176.094 0.039 0.000 1.063 774 V CA 2.289 64.359 62.300 -0.384 0.000 1.055 774 V CB -1.037 30.348 31.823 -0.730 0.000 0.657 774 V HN 0.714 nan 8.190 nan 0.000 0.455 775 N N -0.214 118.482 118.700 -0.006 0.000 2.449 775 N HA -0.098 4.642 4.740 0.001 0.000 0.191 775 N C 1.089 176.599 175.510 -0.001 0.000 1.161 775 N CA 0.664 53.720 53.050 0.009 0.000 0.863 775 N CB 0.144 38.614 38.487 -0.027 0.000 0.980 775 N HN 0.536 nan 8.380 nan 0.000 0.458 776 E N -0.166 120.094 120.200 0.099 0.000 2.601 776 E HA 0.058 4.408 4.350 0.001 0.000 0.219 776 E C 0.483 177.211 176.600 0.214 0.000 0.964 776 E CA 0.114 56.581 56.400 0.113 0.000 1.050 776 E CB 0.644 30.390 29.700 0.076 0.000 1.068 776 E HN 0.460 nan 8.360 nan 0.000 0.496 777 S N -0.305 115.589 115.700 0.322 0.000 2.575 777 S HA 0.174 4.645 4.470 0.001 0.000 0.215 777 S C 0.597 175.449 174.600 0.419 0.000 0.966 777 S CA -0.511 57.875 58.200 0.310 0.000 0.911 777 S CB -0.637 62.719 63.200 0.260 0.000 0.780 777 S HN 0.037 nan 8.310 nan 0.000 0.514 778 F N 2.918 122.953 119.950 0.143 0.000 2.557 778 F HA 0.391 4.919 4.527 0.001 0.000 0.384 778 F C 1.747 177.621 175.800 0.124 0.000 1.057 778 F CA 0.686 58.757 58.000 0.119 0.000 1.169 778 F CB 0.022 39.074 39.000 0.086 0.000 1.070 778 F HN 0.383 nan 8.300 nan 0.000 0.554 779 G N 3.560 112.477 108.800 0.194 0.000 2.160 779 G HA2 -0.396 3.564 3.960 0.001 0.000 0.251 779 G HA3 -0.396 3.564 3.960 0.001 0.000 0.251 779 G C 0.673 175.661 174.900 0.147 0.000 1.008 779 G CA 0.347 45.528 45.100 0.135 0.000 0.724 779 G HN 0.705 nan 8.290 nan 0.000 0.514 780 F N 1.485 121.463 119.950 0.046 0.000 2.069 780 F HA -0.098 4.430 4.527 0.001 0.000 0.298 780 F C 2.583 178.379 175.800 -0.008 0.000 1.113 780 F CA 2.878 60.897 58.000 0.031 0.000 1.214 780 F CB -0.680 38.338 39.000 0.030 0.000 0.978 780 F HN 0.157 nan 8.300 nan 0.000 0.474 781 T N 0.196 114.645 114.554 -0.175 0.000 2.684 781 T HA -0.154 4.197 4.350 0.001 0.000 0.267 781 T C 2.169 176.727 174.700 -0.238 0.000 1.036 781 T CA 1.588 63.508 62.100 -0.300 0.000 1.148 781 T CB -1.365 67.433 68.868 -0.116 0.000 0.863 781 T HN 0.499 nan 8.240 nan 0.000 0.436 782 G N 1.255 109.985 108.800 -0.118 0.000 2.505 782 G HA2 -0.271 3.690 3.960 0.001 0.000 0.220 782 G HA3 -0.271 3.690 3.960 0.001 0.000 0.220 782 G C 1.420 176.264 174.900 -0.094 0.000 1.145 782 G CA 0.993 46.048 45.100 -0.075 0.000 0.761 782 G HN 0.554 nan 8.290 nan 0.000 0.571 783 E N -0.729 119.394 120.200 -0.127 0.000 2.299 783 E HA 0.094 4.445 4.350 0.001 0.000 0.193 783 E C 2.189 178.676 176.600 -0.187 0.000 0.998 783 E CA -0.092 56.239 56.400 -0.115 0.000 0.851 783 E CB 0.043 29.706 29.700 -0.062 0.000 0.795 783 E HN 0.349 nan 8.360 nan 0.000 0.492 784 L N 1.035 122.053 121.223 -0.342 0.000 2.341 784 L HA -0.005 4.336 4.340 0.001 0.000 0.214 784 L C 1.916 178.663 176.870 -0.205 0.000 1.115 784 L CA 1.243 55.867 54.840 -0.360 0.000 0.820 784 L CB -0.008 41.667 42.059 -0.640 0.000 0.944 784 L HN -0.101 nan 8.230 nan 0.000 0.452 785 R N -1.097 119.305 120.500 -0.163 0.000 2.062 785 R HA -0.148 4.193 4.340 0.001 0.000 0.231 785 R C 2.172 178.433 176.300 -0.064 0.000 1.136 785 R CA 1.508 57.551 56.100 -0.095 0.000 0.948 785 R CB -0.392 29.865 30.300 -0.072 0.000 0.845 785 R HN 0.313 nan 8.270 nan 0.000 0.430 786 Q N 0.575 120.340 119.800 -0.060 0.000 2.061 786 Q HA -0.112 4.229 4.340 0.001 0.000 0.204 786 Q C 2.119 178.100 176.000 -0.032 0.000 0.984 786 Q CA 2.069 57.850 55.803 -0.035 0.000 0.846 786 Q CB -0.578 28.143 28.738 -0.027 0.000 0.902 786 Q HN 0.374 nan 8.270 nan 0.000 0.421 787 A N 0.310 123.103 122.820 -0.046 0.000 1.849 787 A HA -0.200 4.120 4.320 0.001 0.000 0.217 787 A C 2.063 179.632 177.584 -0.025 0.000 1.202 787 A CA 2.471 54.488 52.037 -0.033 0.000 0.629 787 A CB -1.308 17.664 19.000 -0.048 0.000 0.834 787 A HN 0.517 nan 8.150 nan 0.000 0.447 788 T N -3.510 111.020 114.554 -0.040 0.000 3.366 788 T HA 0.428 4.779 4.350 0.001 0.000 0.249 788 T C 1.148 175.840 174.700 -0.014 0.000 1.028 788 T CA 0.913 62.998 62.100 -0.025 0.000 0.938 788 T CB -0.450 68.397 68.868 -0.035 0.000 1.046 788 T HN 1.851 nan 8.240 nan 0.000 0.587 789 G N 0.750 109.543 108.800 -0.012 0.000 2.187 789 G HA2 -0.030 3.931 3.960 0.001 0.000 0.261 789 G HA3 -0.030 3.931 3.960 0.001 0.000 0.261 789 G C 1.121 176.022 174.900 0.001 0.000 1.000 789 G CA 0.379 45.478 45.100 -0.002 0.000 0.718 789 G HN 1.864 nan 8.290 nan 0.000 0.519 790 G N -1.500 107.292 108.800 -0.012 0.000 2.179 790 G HA2 -0.321 3.639 3.960 0.001 0.000 0.260 790 G HA3 -0.321 3.639 3.960 0.001 0.000 0.260 790 G C 0.931 175.831 174.900 -0.001 0.000 0.977 790 G CA 1.319 46.413 45.100 -0.010 0.000 0.641 790 G HN 1.035 nan 8.290 nan 0.000 0.533 791 Q N -0.080 119.726 119.800 0.010 0.000 2.389 791 Q HA 0.510 4.851 4.340 0.001 0.000 0.204 791 Q C 1.594 177.606 176.000 0.019 0.000 0.944 791 Q CA 0.607 56.425 55.803 0.024 0.000 0.908 791 Q CB 0.334 29.100 28.738 0.048 0.000 1.002 791 Q HN 0.871 nan 8.270 nan 0.000 0.493 792 A N 1.245 124.071 122.820 0.009 0.000 2.450 792 A HA 0.245 4.566 4.320 0.001 0.000 0.255 792 A C -0.865 176.757 177.584 0.062 0.000 1.096 792 A CA -0.143 51.904 52.037 0.016 0.000 0.778 792 A CB -0.062 18.915 19.000 -0.039 0.000 1.031 792 A HN 0.304 nan 8.150 nan 0.000 0.494 793 F N 5.662 125.571 119.950 -0.067 0.000 2.307 793 F HA 0.514 5.042 4.527 0.001 0.000 0.369 793 F C -2.568 173.206 175.800 -0.044 0.000 1.076 793 F CA -2.998 54.961 58.000 -0.068 0.000 1.149 793 F CB 1.194 40.147 39.000 -0.078 0.000 1.410 793 F HN 0.289 nan 8.300 nan 0.000 0.481 794 P HA 0.194 nan 4.420 nan 0.000 0.272 794 P C -1.521 175.373 177.300 -0.677 0.000 1.223 794 P CA -0.109 62.737 63.100 -0.423 0.000 0.784 794 P CB 0.731 32.314 31.700 -0.196 0.000 0.923 795 Q N 1.906 121.473 119.800 -0.388 0.000 2.364 795 Q HA 0.541 4.881 4.340 0.001 0.000 0.251 795 Q C -1.829 174.028 176.000 -0.237 0.000 0.927 795 Q CA -0.517 55.077 55.803 -0.348 0.000 0.924 795 Q CB 1.009 29.551 28.738 -0.326 0.000 1.419 795 Q HN 0.482 nan 8.270 nan 0.000 0.427 796 M N 1.686 121.129 119.600 -0.262 0.000 2.365 796 M HA 0.757 5.237 4.480 0.001 0.000 0.287 796 M C -1.952 174.146 176.300 -0.338 0.000 1.154 796 M CA -0.966 54.161 55.300 -0.289 0.000 0.941 796 M CB 2.157 34.531 32.600 -0.377 0.000 1.704 796 M HN 0.293 nan 8.290 nan 0.000 0.479 797 V N 2.366 122.164 119.914 -0.193 0.000 3.102 797 V HA 0.676 4.797 4.120 0.001 0.000 0.312 797 V C -1.380 174.850 176.094 0.227 0.000 1.135 797 V CA -0.730 61.533 62.300 -0.061 0.000 1.022 797 V CB 2.578 34.382 31.823 -0.032 0.000 1.056 797 V HN 0.830 nan 8.190 nan 0.000 0.436 798 F N 3.205 123.304 119.950 0.249 0.000 2.538 798 F HA 0.288 4.815 4.527 0.001 0.000 0.371 798 F C 0.736 176.582 175.800 0.078 0.000 1.087 798 F CA 0.701 58.853 58.000 0.254 0.000 1.250 798 F CB 1.071 40.113 39.000 0.069 0.000 1.110 798 F HN 0.759 nan 8.300 nan 0.000 0.570 799 D N 2.824 122.672 120.400 -0.921 0.000 2.856 799 D HA 0.120 4.760 4.640 0.001 0.000 0.283 799 D C -0.245 175.519 176.300 -0.893 0.000 1.051 799 D CA 1.258 54.833 54.000 -0.709 0.000 0.965 799 D CB 0.239 40.786 40.800 -0.422 0.000 1.201 799 D HN 0.799 nan 8.370 nan 0.000 0.474 800 H N -4.439 113.855 119.070 -1.294 0.000 2.883 800 H HA 0.443 5.000 4.556 0.001 0.000 0.277 800 H C -1.458 173.500 175.328 -0.616 0.000 1.451 800 H CA -1.432 54.157 56.048 -0.765 0.000 1.157 800 H CB 0.326 29.845 29.762 -0.405 0.000 1.851 800 H HN -0.053 nan 8.280 nan 0.000 0.566 801 W N 0.859 122.023 121.300 -0.226 0.000 2.573 801 W HA 0.576 5.236 4.660 0.001 0.000 0.326 801 W C -0.259 176.034 176.519 -0.377 0.000 1.049 801 W CA -0.873 56.363 57.345 -0.182 0.000 1.220 801 W CB 2.300 31.772 29.460 0.019 0.000 1.373 801 W HN 0.474 nan 8.180 nan 0.000 0.507 802 S N 1.570 117.238 115.700 -0.053 0.000 2.456 802 S HA 0.403 4.873 4.470 0.001 0.000 0.316 802 S C -0.302 174.335 174.600 0.061 0.000 1.089 802 S CA -0.530 57.612 58.200 -0.097 0.000 1.101 802 S CB 0.496 63.599 63.200 -0.162 0.000 0.995 802 S HN 0.330 nan 8.310 nan 0.000 0.468 803 T N 6.699 121.280 114.554 0.044 0.000 2.743 803 T HA 0.226 4.576 4.350 0.001 0.000 0.290 803 T C 0.403 175.129 174.700 0.043 0.000 0.908 803 T CA -0.182 61.952 62.100 0.057 0.000 1.092 803 T CB -0.399 68.492 68.868 0.039 0.000 0.882 803 T HN 0.512 nan 8.240 nan 0.000 0.531 804 L N 2.646 123.901 121.223 0.054 0.000 2.485 804 L HA 0.173 4.514 4.340 0.001 0.000 0.275 804 L C 1.820 178.698 176.870 0.013 0.000 1.207 804 L CA -0.157 54.701 54.840 0.031 0.000 0.855 804 L CB 0.109 42.179 42.059 0.019 0.000 1.114 804 L HN 0.764 nan 8.230 nan 0.000 0.485 805 G N 1.457 110.262 108.800 0.007 0.000 2.426 805 G HA2 -0.113 3.847 3.960 0.001 0.000 0.214 805 G HA3 -0.113 3.847 3.960 0.001 0.000 0.214 805 G C 0.872 175.766 174.900 -0.010 0.000 1.156 805 G CA 0.424 45.524 45.100 0.001 0.000 0.802 805 G HN 0.703 nan 8.290 nan 0.000 0.534 806 S N 0.441 116.133 115.700 -0.014 0.000 2.572 806 S HA 0.116 4.587 4.470 0.001 0.000 0.267 806 S C -0.224 174.356 174.600 -0.033 0.000 1.361 806 S CA -0.221 57.964 58.200 -0.025 0.000 1.009 806 S CB 1.169 64.350 63.200 -0.032 0.000 0.888 806 S HN 0.176 nan 8.310 nan 0.000 0.553 807 D N 1.529 121.908 120.400 -0.035 0.000 2.339 807 D HA 0.277 4.918 4.640 0.001 0.000 0.241 807 D C -1.222 175.047 176.300 -0.052 0.000 1.183 807 D CA -2.490 51.489 54.000 -0.036 0.000 0.859 807 D CB 1.120 41.905 40.800 -0.026 0.000 1.067 807 D HN 0.266 nan 8.370 nan 0.000 0.484 808 P HA -0.086 nan 4.420 nan 0.000 0.231 808 P C 1.123 178.378 177.300 -0.074 0.000 1.158 808 P CA 0.623 63.666 63.100 -0.096 0.000 0.763 808 P CB 0.320 31.975 31.700 -0.074 0.000 0.805 809 L N -1.026 120.176 121.223 -0.035 0.000 2.513 809 L HA 0.184 4.525 4.340 0.001 0.000 0.222 809 L C 0.939 177.795 176.870 -0.023 0.000 1.096 809 L CA 0.130 54.961 54.840 -0.014 0.000 0.857 809 L CB -0.413 41.655 42.059 0.015 0.000 1.026 809 L HN -0.086 nan 8.230 nan 0.000 0.469 810 D N 0.792 121.172 120.400 -0.033 0.000 2.380 810 D HA 0.161 4.801 4.640 0.001 0.000 0.230 810 D C -1.744 174.529 176.300 -0.045 0.000 1.154 810 D CA -2.211 51.771 54.000 -0.031 0.000 0.859 810 D CB 1.623 42.408 40.800 -0.026 0.000 1.045 810 D HN -0.188 nan 8.370 nan 0.000 0.495 811 P HA -0.188 nan 4.420 nan 0.000 0.216 811 P C 1.192 178.465 177.300 -0.045 0.000 1.154 811 P CA 1.829 64.901 63.100 -0.047 0.000 0.865 811 P CB 0.020 31.701 31.700 -0.033 0.000 0.789 812 T N -3.758 110.775 114.554 -0.034 0.000 2.995 812 T HA -0.037 4.314 4.350 0.001 0.000 0.269 812 T C 1.115 175.796 174.700 -0.033 0.000 1.091 812 T CA 0.502 62.585 62.100 -0.029 0.000 1.128 812 T CB -1.001 67.855 68.868 -0.020 0.000 0.891 812 T HN 0.216 nan 8.240 nan 0.000 0.492 813 S N 0.962 116.638 115.700 -0.039 0.000 2.596 813 S HA 0.223 4.693 4.470 0.001 0.000 0.260 813 S C 1.366 175.936 174.600 -0.051 0.000 1.336 813 S CA -0.839 57.337 58.200 -0.040 0.000 0.993 813 S CB 0.827 64.001 63.200 -0.044 0.000 0.923 813 S HN 0.105 nan 8.310 nan 0.000 0.567 814 K N 1.276 121.650 120.400 -0.044 0.000 2.002 814 K HA -0.060 4.260 4.320 0.001 0.000 0.209 814 K C 2.475 179.025 176.600 -0.083 0.000 1.048 814 K CA 1.758 58.017 56.287 -0.047 0.000 0.930 814 K CB -1.490 30.995 32.500 -0.026 0.000 0.714 814 K HN 0.770 nan 8.250 nan 0.000 0.438 815 A N 0.997 123.758 122.820 -0.099 0.000 1.873 815 A HA -0.029 4.292 4.320 0.001 0.000 0.215 815 A C 2.521 179.975 177.584 -0.217 0.000 1.186 815 A CA 1.934 53.870 52.037 -0.169 0.000 0.616 815 A CB -1.179 17.736 19.000 -0.141 0.000 0.823 815 A HN 0.381 nan 8.150 nan 0.000 0.442 816 G N -0.387 108.321 108.800 -0.153 0.000 2.475 816 G HA2 -0.309 3.651 3.960 0.001 0.000 0.220 816 G HA3 -0.309 3.651 3.960 0.001 0.000 0.220 816 G C 1.432 176.238 174.900 -0.158 0.000 1.125 816 G CA 1.301 46.311 45.100 -0.150 0.000 0.755 816 G HN 0.694 nan 8.290 nan 0.000 0.565 817 E N -0.066 120.055 120.200 -0.132 0.000 2.047 817 E HA -0.111 4.240 4.350 0.001 0.000 0.191 817 E C 2.516 179.028 176.600 -0.147 0.000 0.987 817 E CA 0.753 57.087 56.400 -0.109 0.000 0.799 817 E CB -0.103 29.552 29.700 -0.075 0.000 0.752 817 E HN 0.330 nan 8.360 nan 0.000 0.449 818 I N 0.947 121.391 120.570 -0.211 0.000 2.163 818 I HA -0.245 3.926 4.170 0.001 0.000 0.243 818 I C 2.484 178.368 176.117 -0.388 0.000 1.085 818 I CA 0.952 62.084 61.300 -0.280 0.000 1.347 818 I CB -1.159 36.561 38.000 -0.467 0.000 1.044 818 I HN 0.137 nan 8.210 nan 0.000 0.408 819 V N 0.899 120.472 119.914 -0.569 0.000 2.295 819 V HA -0.267 3.854 4.120 0.001 0.000 0.246 819 V C 2.566 178.503 176.094 -0.261 0.000 1.049 819 V CA 1.520 63.408 62.300 -0.687 0.000 1.024 819 V CB -0.806 30.652 31.823 -0.608 0.000 0.648 819 V HN 0.313 nan 8.190 nan 0.000 0.447 820 L N 1.136 122.256 121.223 -0.170 0.000 1.989 820 L HA -0.158 4.182 4.340 0.001 0.000 0.211 820 L C 2.490 179.341 176.870 -0.031 0.000 1.071 820 L CA 2.581 57.377 54.840 -0.073 0.000 0.749 820 L CB -1.216 40.805 42.059 -0.063 0.000 0.890 820 L HN 0.233 nan 8.230 nan 0.000 0.431 821 A N -0.585 122.211 122.820 -0.041 0.000 1.883 821 A HA -0.151 4.169 4.320 0.001 0.000 0.217 821 A C 2.441 180.045 177.584 0.033 0.000 1.186 821 A CA 2.296 54.330 52.037 -0.005 0.000 0.624 821 A CB -1.289 17.705 19.000 -0.010 0.000 0.822 821 A HN 0.639 nan 8.150 nan 0.000 0.444 822 A N -0.593 122.266 122.820 0.064 0.000 1.898 822 A HA -0.129 4.191 4.320 0.001 0.000 0.216 822 A C 2.251 179.969 177.584 0.223 0.000 1.181 822 A CA 1.419 53.569 52.037 0.188 0.000 0.620 822 A CB -0.480 18.785 19.000 0.440 0.000 0.819 822 A HN 0.529 nan 8.150 nan 0.000 0.442 823 R N -0.434 120.178 120.500 0.187 0.000 2.083 823 R HA -0.163 4.177 4.340 0.001 0.000 0.237 823 R C 2.347 178.734 176.300 0.145 0.000 1.137 823 R CA 1.898 58.111 56.100 0.188 0.000 0.951 823 R CB -0.319 30.046 30.300 0.108 0.000 0.851 823 R HN 0.509 nan 8.270 nan 0.000 0.434 824 K N 0.303 120.754 120.400 0.084 0.000 2.032 824 K HA -0.197 4.124 4.320 0.001 0.000 0.209 824 K C 2.205 178.839 176.600 0.056 0.000 1.048 824 K CA 1.424 57.747 56.287 0.059 0.000 0.927 824 K CB -0.114 32.404 32.500 0.031 0.000 0.712 824 K HN 0.024 nan 8.250 nan 0.000 0.441 825 R N -0.113 120.407 120.500 0.033 0.000 2.117 825 R HA -0.179 4.161 4.340 0.001 0.000 0.243 825 R C 1.885 178.166 176.300 -0.031 0.000 1.143 825 R CA 1.620 57.705 56.100 -0.025 0.000 0.968 825 R CB -0.132 30.119 30.300 -0.082 0.000 0.863 825 R HN 0.348 nan 8.270 nan 0.000 0.444 826 H N -1.105 118.007 119.070 0.071 0.000 2.551 826 H HA 0.104 4.660 4.556 0.001 0.000 0.266 826 H C 0.871 176.229 175.328 0.049 0.000 0.977 826 H CA 1.041 57.127 56.048 0.063 0.000 1.163 826 H CB 0.426 30.234 29.762 0.077 0.000 1.381 826 H HN 0.559 nan 8.280 nan 0.000 0.581 827 G N 1.246 110.135 108.800 0.149 0.000 2.198 827 G HA2 -0.289 3.671 3.960 0.001 0.000 0.257 827 G HA3 -0.289 3.671 3.960 0.001 0.000 0.257 827 G C 0.193 175.149 174.900 0.093 0.000 1.042 827 G CA 0.481 45.639 45.100 0.097 0.000 0.791 827 G HN 0.258 nan 8.290 nan 0.000 0.502 828 M N -0.878 118.789 119.600 0.112 0.000 2.471 828 M HA 0.478 4.959 4.480 0.001 0.000 0.309 828 M C 0.764 177.105 176.300 0.069 0.000 1.186 828 M CA -0.822 54.532 55.300 0.090 0.000 1.008 828 M CB 0.982 33.647 32.600 0.109 0.000 1.551 828 M HN 0.084 nan 8.290 nan 0.000 0.477 829 K N 1.139 121.572 120.400 0.055 0.000 2.524 829 K HA -0.070 4.250 4.320 0.001 0.000 0.279 829 K C 0.512 177.138 176.600 0.043 0.000 0.993 829 K CA 0.424 56.735 56.287 0.039 0.000 1.030 829 K CB 0.505 33.022 32.500 0.029 0.000 0.891 829 K HN 0.617 nan 8.250 nan 0.000 0.488 830 E N 2.209 122.428 120.200 0.030 0.000 2.265 830 E HA -0.161 4.190 4.350 0.001 0.000 0.196 830 E C -0.374 176.236 176.600 0.018 0.000 0.996 830 E CA 1.034 57.448 56.400 0.024 0.000 0.832 830 E CB 0.130 29.838 29.700 0.014 0.000 0.756 830 E HN 0.514 nan 8.360 nan 0.000 0.491 831 E N 0.439 120.649 120.200 0.017 0.000 2.216 831 E HA 0.196 4.547 4.350 0.001 0.000 0.279 831 E C -0.821 175.798 176.600 0.031 0.000 0.997 831 E CA -0.441 55.967 56.400 0.014 0.000 0.817 831 E CB 1.858 31.560 29.700 0.005 0.000 1.096 831 E HN -0.184 nan 8.360 nan 0.000 0.393 832 V N 4.715 124.651 119.914 0.037 0.000 2.479 832 V HA 0.145 4.265 4.120 0.001 0.000 0.281 832 V C -1.941 174.201 176.094 0.080 0.000 1.031 832 V CA -1.481 60.860 62.300 0.069 0.000 1.038 832 V CB 0.095 31.961 31.823 0.071 0.000 0.981 832 V HN 0.628 nan 8.190 nan 0.000 0.478 833 P HA 0.138 nan 4.420 nan 0.000 0.264 833 P C 0.462 177.836 177.300 0.123 0.000 1.183 833 P CA 0.422 63.568 63.100 0.076 0.000 0.763 833 P CB 0.423 32.178 31.700 0.092 0.000 0.807 834 G N 2.569 111.389 108.800 0.033 0.000 2.599 834 G HA2 0.090 4.051 3.960 0.001 0.000 0.264 834 G HA3 0.090 4.051 3.960 0.001 0.000 0.264 834 G C 0.824 175.798 174.900 0.124 0.000 1.200 834 G CA -0.674 44.465 45.100 0.066 0.000 0.896 834 G HN 0.743 nan 8.290 nan 0.000 0.536 835 W N -0.301 121.086 121.300 0.144 0.000 2.421 835 W HA -0.095 4.565 4.660 0.001 0.000 0.270 835 W C 1.311 177.932 176.519 0.170 0.000 1.233 835 W CA 0.691 58.169 57.345 0.223 0.000 1.226 835 W CB -0.501 29.059 29.460 0.166 0.000 1.121 835 W HN 0.497 nan 8.180 nan 0.000 0.579 836 Q N 1.315 120.685 119.800 -0.716 0.000 2.226 836 Q HA -0.190 4.151 4.340 0.001 0.000 0.204 836 Q C 1.941 177.791 176.000 -0.251 0.000 0.975 836 Q CA 2.206 57.614 55.803 -0.658 0.000 0.866 836 Q CB -0.438 27.880 28.738 -0.701 0.000 0.915 836 Q HN 0.285 nan 8.270 nan 0.000 0.440 837 E N -1.281 118.757 120.200 -0.270 0.000 2.204 837 E HA -0.148 4.202 4.350 0.001 0.000 0.194 837 E C 0.680 177.032 176.600 -0.414 0.000 0.989 837 E CA 1.037 57.193 56.400 -0.408 0.000 0.824 837 E CB 0.089 29.392 29.700 -0.663 0.000 0.756 837 E HN 0.536 nan 8.360 nan 0.000 0.477 838 Y N -2.431 117.962 120.300 0.156 0.000 2.481 838 Y HA 0.147 4.697 4.550 0.001 0.000 0.258 838 Y C 0.542 176.566 175.900 0.207 0.000 1.103 838 Y CA -0.535 57.674 58.100 0.182 0.000 1.287 838 Y CB 0.149 38.764 38.460 0.258 0.000 1.108 838 Y HN -0.031 nan 8.280 nan 0.000 0.529 839 Y N 1.800 122.240 120.300 0.233 0.000 2.258 839 Y HA 0.049 4.599 4.550 0.001 0.000 0.345 839 Y C 0.737 176.684 175.900 0.080 0.000 1.303 839 Y CA -0.700 57.525 58.100 0.207 0.000 1.537 839 Y CB 0.294 38.924 38.460 0.284 0.000 1.383 839 Y HN -0.038 nan 8.280 nan 0.000 0.606 840 D N 1.421 121.738 120.400 -0.137 0.000 2.399 840 D HA 0.022 4.662 4.640 0.001 0.000 0.241 840 D C -0.636 175.725 176.300 0.101 0.000 1.133 840 D CA 0.053 54.012 54.000 -0.068 0.000 0.890 840 D CB 0.689 41.380 40.800 -0.182 0.000 1.201 840 D HN 0.254 nan 8.370 nan 0.000 0.432 841 K N 3.314 123.737 120.400 0.038 0.000 2.751 841 K HA 0.155 4.476 4.320 0.001 0.000 0.252 841 K C -0.492 176.130 176.600 0.037 0.000 1.277 841 K CA -0.357 55.950 56.287 0.032 0.000 1.226 841 K CB -0.526 31.969 32.500 -0.007 0.000 1.658 841 K HN 0.298 nan 8.250 nan 0.000 0.303 842 L N 0.000 121.275 121.223 0.087 0.000 2.949 842 L HA 0.000 4.341 4.340 0.001 0.000 0.249 842 L CA 0.000 54.885 54.840 0.075 0.000 0.813 842 L CB 0.000 42.127 42.059 0.113 0.000 0.961 842 L HN 0.000 nan 8.230 nan 0.000 0.502